Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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Diethyl trichloromethylphosphonate, 98%

CAS: 866-23-9 Molecular Formula: C5H10Cl3O3P Molecular Weight (g/mol): 255.46 MDL Number: MFCD00013666 InChI Key: RVAQSYWDOSHWGP-UHFFFAOYSA-N Synonym: diethyl trichloromethylphosphonate,diethyl trichloromethyl phosphonate,phosphonic acid, trichloromethyl-, diethyl ester,methanephosphonic acid, trichloro-, diethyl ester,diethyltrichloromethylphosphonate,wln: gxggpo&o2&o2,4-03-00-00262 beilstein handbook reference,trichloromethylphosphonic acid diethyl,diethoxyphosphino trichloromethyl-1-one PubChem CID: 70085 IUPAC Name: 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(OCC)C(Cl)(Cl)Cl

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PubChem CID	70085
CAS	866-23-9
Molecular Weight (g/mol)	255.46
MDL Number	MFCD00013666
SMILES	CCOP(=O)(OCC)C(Cl)(Cl)Cl
Synonym	diethyl trichloromethylphosphonate,diethyl trichloromethyl phosphonate,phosphonic acid, trichloromethyl-, diethyl ester,methanephosphonic acid, trichloro-, diethyl ester,diethyltrichloromethylphosphonate,wln: gxggpo&o2&o2,4-03-00-00262 beilstein handbook reference,trichloromethylphosphonic acid diethyl,diethoxyphosphino trichloromethyl-1-one
IUPAC Name	1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
InChI Key	RVAQSYWDOSHWGP-UHFFFAOYSA-N
Molecular Formula	C5H10Cl3O3P

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1,2-Ethylenediphosphonic acid, 97%

CAS: 6145-31-9 Molecular Formula: C2H8O6P2 Molecular Weight (g/mol): 190.028 MDL Number: MFCD00013958 InChI Key: XYJLPCAKKYOLGU-UHFFFAOYSA-N Synonym: 1,2-ethylenediphosphonic acid,1,2-ethanediphosphonic acid,phosphonic acid, ethylenedi,phosphonic acid, 1,2-ethanediylbis,1,2-ethanebisphosphonic acid,1,2-ethanediylbisphosphonic acid,ethylenediphosphonic acid,phosphonic acid, ethylenedi-6ci,7ci,8ci,ethane-1,2-diylbis phosphonicacid,ethylenebisphosphonic acid PubChem CID: 80247 IUPAC Name: 2-phosphonoethylphosphonic acid SMILES: C(CP(=O)(O)O)P(=O)(O)O

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PubChem CID	80247
CAS	6145-31-9
Molecular Weight (g/mol)	190.028
MDL Number	MFCD00013958
SMILES	C(CP(=O)(O)O)P(=O)(O)O
Synonym	1,2-ethylenediphosphonic acid,1,2-ethanediphosphonic acid,phosphonic acid, ethylenedi,phosphonic acid, 1,2-ethanediylbis,1,2-ethanebisphosphonic acid,1,2-ethanediylbisphosphonic acid,ethylenediphosphonic acid,phosphonic acid, ethylenedi-6ci,7ci,8ci,ethane-1,2-diylbis phosphonicacid,ethylenebisphosphonic acid
IUPAC Name	2-phosphonoethylphosphonic acid
InChI Key	XYJLPCAKKYOLGU-UHFFFAOYSA-N
Molecular Formula	C2H8O6P2

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1-Tetradecylphosphonic acid, 98%

CAS: 4671-75-4 Molecular Formula: C14H31O3P Molecular Weight (g/mol): 278.373 MDL Number: MFCD00015834 InChI Key: BVQJQTMSTANITJ-UHFFFAOYSA-N Synonym: phosphonic acid, tetradecyl,1-tetradecanephosphonic acid,tetradecanephosphonic acid,tetradecyl phosphonic acid,n-tetradecylphosphonic acid,tetradecyl-phosphonic acid,1-tetradecylphosphonic acid,phosphonic acid, p-tetradecyl,p-tetradecyl-phosphonic acid,tetradecylphosphonate PubChem CID: 78401 IUPAC Name: tetradecylphosphonic acid SMILES: CCCCCCCCCCCCCCP(=O)(O)O

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PubChem CID	78401
CAS	4671-75-4
Molecular Weight (g/mol)	278.373
MDL Number	MFCD00015834
SMILES	CCCCCCCCCCCCCCP(=O)(O)O
Synonym	phosphonic acid, tetradecyl,1-tetradecanephosphonic acid,tetradecanephosphonic acid,tetradecyl phosphonic acid,n-tetradecylphosphonic acid,tetradecyl-phosphonic acid,1-tetradecylphosphonic acid,phosphonic acid, p-tetradecyl,p-tetradecyl-phosphonic acid,tetradecylphosphonate
IUPAC Name	tetradecylphosphonic acid
InChI Key	BVQJQTMSTANITJ-UHFFFAOYSA-N
Molecular Formula	C14H31O3P

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Diethyl 4-methylbenzylphosphonate, 98+%

CAS: 3762-25-2 Molecular Formula: C12H19O3P Molecular Weight (g/mol): 242.255 MDL Number: MFCD00041385 InChI Key: QKGBKPZAXXBLJE-UHFFFAOYSA-N Synonym: diethyl 4-methylbenzylphosphonate,diethyl 4-methylbenzyl phosphonate,4-methylbenzyl phosphonic acid diethyl ester,diethyl 4-methylphenyl methylphosphonate,diethoxy 4-methylphenyl methyl phosphino-1-one,acmc-209iuf,diethyl-4-methylbenzylphosphonate,1-diethoxyphosphorylmethyl-4-methylbenzene,phosphonic acid, 4-methylphenyl methyl-, diethyl ester PubChem CID: 3050 IUPAC Name: 1-(diethoxyphosphorylmethyl)-4-methylbenzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)C)OCC

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PubChem CID	3050
CAS	3762-25-2
Molecular Weight (g/mol)	242.255
MDL Number	MFCD00041385
SMILES	CCOP(=O)(CC1=CC=C(C=C1)C)OCC
Synonym	diethyl 4-methylbenzylphosphonate,diethyl 4-methylbenzyl phosphonate,4-methylbenzyl phosphonic acid diethyl ester,diethyl 4-methylphenyl methylphosphonate,diethoxy 4-methylphenyl methyl phosphino-1-one,acmc-209iuf,diethyl-4-methylbenzylphosphonate,1-diethoxyphosphorylmethyl-4-methylbenzene,phosphonic acid, 4-methylphenyl methyl-, diethyl ester
IUPAC Name	1-(diethoxyphosphorylmethyl)-4-methylbenzene
InChI Key	QKGBKPZAXXBLJE-UHFFFAOYSA-N
Molecular Formula	C12H19O3P

n-Hexylphosphonic acid

CAS: 4721-24-8 Molecular Formula: C6H15O3P Molecular Weight (g/mol): 166.157 MDL Number: MFCD00013961 InChI Key: GJWAEWLHSDGBGG-UHFFFAOYSA-N Synonym: n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid PubChem CID: 312552 IUPAC Name: hexylphosphonic acid SMILES: CCCCCCP(=O)(O)O

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PubChem CID	312552
CAS	4721-24-8
Molecular Weight (g/mol)	166.157
MDL Number	MFCD00013961
SMILES	CCCCCCP(=O)(O)O
Synonym	n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid
IUPAC Name	hexylphosphonic acid
InChI Key	GJWAEWLHSDGBGG-UHFFFAOYSA-N
Molecular Formula	C6H15O3P

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Methanephosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 993-13-5 Molecular Formula: CH5O3P Molecular Weight (g/mol): 96.02 MDL Number: MFCD00002137 InChI Key: YACKEPLHDIMKIO-UHFFFAOYSA-N Synonym: methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid PubChem CID: 13818 ChEBI: CHEBI:45129 IUPAC Name: methylphosphonic acid SMILES: CP(O)(O)=O

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PubChem CID	13818
CAS	993-13-5
Molecular Weight (g/mol)	96.02
ChEBI	CHEBI:45129
MDL Number	MFCD00002137
SMILES	CP(O)(O)=O
Synonym	methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid
IUPAC Name	methylphosphonic acid
InChI Key	YACKEPLHDIMKIO-UHFFFAOYSA-N
Molecular Formula	CH5O3P

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Methyl diethylphosphonoacetate, 97%

CAS: 1067-74-9 Molecular Formula: C₇H₁₅O₅P Molecular Weight (g/mol): 210.17 MDL Number: MFCD00009081 InChI Key: CTSAXXHOGZNKJR-UHFFFAOYSA-N Synonym: methyl diethylphosphonoacetate,methyl 2-diethoxyphosphoryl acetate,acetic acid, diethoxyphosphinyl-, methyl ester,diethylmethylphosphonoacetate,methyl diethoxyphosphoryl acetate,diethyl carbomethoxymethylphosphonate,methyl 2-diethoxycarbonyl acetate,methyldiethylphosphonoacetate,diethyl methylphosphonoacetate,ksc489e0f PubChem CID: 66113 IUPAC Name: methyl 2-diethoxyphosphorylacetate SMILES: CCOP(=O)(CC(=O)OC)OCC

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PubChem CID	66113
CAS	1067-74-9
Molecular Weight (g/mol)	210.17
MDL Number	MFCD00009081
SMILES	CCOP(=O)(CC(=O)OC)OCC
Synonym	methyl diethylphosphonoacetate,methyl 2-diethoxyphosphoryl acetate,acetic acid, diethoxyphosphinyl-, methyl ester,diethylmethylphosphonoacetate,methyl diethoxyphosphoryl acetate,diethyl carbomethoxymethylphosphonate,methyl 2-diethoxycarbonyl acetate,methyldiethylphosphonoacetate,diethyl methylphosphonoacetate,ksc489e0f
IUPAC Name	methyl 2-diethoxyphosphorylacetate
InChI Key	CTSAXXHOGZNKJR-UHFFFAOYSA-N
Molecular Formula	C₇H₁₅O₅P

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Triethyl phosphonoacetate, 97%

CAS: 867-13-0 Molecular Formula: C₈H₁₇O₅P Molecular Weight (g/mol): 224.19 InChI Key: GGUBFICZYGKNTD-UHFFFAOYSA-N Synonym: triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate PubChem CID: 13345 IUPAC Name: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

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PubChem CID	13345
CAS	867-13-0
Molecular Weight (g/mol)	224.19
SMILES	CCOC(=O)CP(=O)(OCC)OCC
Synonym	triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate
IUPAC Name	ethyl 2-diethoxyphosphorylacetate
InChI Key	GGUBFICZYGKNTD-UHFFFAOYSA-N
Molecular Formula	C₈H₁₇O₅P

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Benzylphosphonic acid, 98%

CAS: 6881-57-8 Molecular Formula: C7H7O3P Molecular Weight (g/mol): 170.11 MDL Number: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonym: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1

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PubChem CID	81312
CAS	6881-57-8
Molecular Weight (g/mol)	170.11
MDL Number	MFCD00039519
SMILES	[O-]P([O-])(=O)CC1=CC=CC=C1
Synonym	benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2
IUPAC Name	benzylphosphonic acid
InChI Key	OGBVRMYSNSKIEF-UHFFFAOYSA-L
Molecular Formula	C7H7O3P

Cyclohexyl methyl methylphosphonate, 99%, Thermo Scientific Chemicals

CAS: 7040-52-0 Molecular Formula: C8H17O3P Molecular Weight (g/mol): 192.195 MDL Number: MFCD08064211 InChI Key: UXITUBFQUAHYSL-UHFFFAOYSA-N Synonym: cyclohexyl methyl methylphosphonate,phosphonic acid, methyl-, cyclohexyl methyl ester,cyclohexyl methyl methyl-phosphonate,methoxy methyl phosphoryl oxycyclohexane,methylphosphonic acid methylcyclohexyl ester PubChem CID: 574009 IUPAC Name: [methoxy(methyl)phosphoryl]oxycyclohexane SMILES: COP(=O)(C)OC1CCCCC1

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PubChem CID	574009
CAS	7040-52-0
Molecular Weight (g/mol)	192.195
MDL Number	MFCD08064211
SMILES	COP(=O)(C)OC1CCCCC1
Synonym	cyclohexyl methyl methylphosphonate,phosphonic acid, methyl-, cyclohexyl methyl ester,cyclohexyl methyl methyl-phosphonate,methoxy methyl phosphoryl oxycyclohexane,methylphosphonic acid methylcyclohexyl ester
IUPAC Name	[methoxy(methyl)phosphoryl]oxycyclohexane
InChI Key	UXITUBFQUAHYSL-UHFFFAOYSA-N
Molecular Formula	C8H17O3P

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Diethyl cyanomethylphosphonate, 96%

CAS: 2537-48-6 Molecular Formula: C6H12NO3P Molecular Weight (g/mol): 177.14 MDL Number: MFCD00001893 InChI Key: KWMBADTWRIGGGG-UHFFFAOYSA-N Synonym: diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester PubChem CID: 75676 IUPAC Name: 2-diethoxyphosphorylacetonitrile SMILES: CCOP(=O)(CC#N)OCC

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PubChem CID	75676
CAS	2537-48-6
Molecular Weight (g/mol)	177.14
MDL Number	MFCD00001893
SMILES	CCOP(=O)(CC#N)OCC
Synonym	diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester
IUPAC Name	2-diethoxyphosphorylacetonitrile
InChI Key	KWMBADTWRIGGGG-UHFFFAOYSA-N
Molecular Formula	C6H12NO3P

(Hydroxy-2-naphthylmethyl)phosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 132541-52-7 Molecular Formula: C11H11O4P Molecular Weight (g/mol): 238.179 MDL Number: MFCD00674174 InChI Key: AMJJLDJPDLKNJA-UHFFFAOYSA-N Synonym: hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010 PubChem CID: 129317 IUPAC Name: [hydroxy(naphthalen-2-yl)methyl]phosphonic acid SMILES: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O

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PubChem CID	129317
CAS	132541-52-7
Molecular Weight (g/mol)	238.179
MDL Number	MFCD00674174
SMILES	C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
Synonym	hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010
IUPAC Name	[hydroxy(naphthalen-2-yl)methyl]phosphonic acid
InChI Key	AMJJLDJPDLKNJA-UHFFFAOYSA-N
Molecular Formula	C11H11O4P

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PubChem CID	75676
CAS	2537-48-6
Molecular Weight (g/mol)	177.14
MDL Number	MFCD00001893
SMILES	CCOP(=O)(CC#N)OCC
Synonym	diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester
IUPAC Name	2-diethoxyphosphorylacetonitrile
InChI Key	KWMBADTWRIGGGG-UHFFFAOYSA-N
Molecular Formula	C6H12NO3P

1-Hydroxyethylidenebis(phosphonic acid), 96%

CAS: 2809-21-4 Molecular Formula: C2H8O7P2 Molecular Weight (g/mol): 206.027 MDL Number: MFCD00070585 InChI Key: DBVJJBKOTRCVKF-UHFFFAOYSA-N Synonym: etidronic acid,etidronate,hedp,1-hydroxyethylidene-1,1-diphosphonic acid,ehdp,etidronsaeure,acetodiphosphonic acid,hydroxyethanediphosphonic acid,oxyethylidenediphosphonic acid,turpinal sl PubChem CID: 3305 ChEBI: CHEBI:4907 IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O

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PubChem CID	3305
CAS	2809-21-4
Molecular Weight (g/mol)	206.027
ChEBI	CHEBI:4907
MDL Number	MFCD00070585
SMILES	CC(O)(P(=O)(O)O)P(=O)(O)O
Synonym	etidronic acid,etidronate,hedp,1-hydroxyethylidene-1,1-diphosphonic acid,ehdp,etidronsaeure,acetodiphosphonic acid,hydroxyethanediphosphonic acid,oxyethylidenediphosphonic acid,turpinal sl
IUPAC Name	(1-hydroxy-1-phosphonoethyl)phosphonic acid
InChI Key	DBVJJBKOTRCVKF-UHFFFAOYSA-N
Molecular Formula	C2H8O7P2

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Methylenediphosphonic acid, 98+%

CAS: 1984-15-2 Molecular Formula: CH6O6P2 Molecular Weight (g/mol): 176.00 MDL Number: MFCD00002139 InChI Key: MBKDYNNUVRNNRF-UHFFFAOYSA-N Synonym: methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid PubChem CID: 16124 ChEBI: CHEBI:43945 IUPAC Name: (phosphonomethyl)phosphonic acid SMILES: OP(O)(=O)CP(O)(O)=O

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PubChem CID	16124
CAS	1984-15-2
Molecular Weight (g/mol)	176.00
ChEBI	CHEBI:43945
MDL Number	MFCD00002139
SMILES	OP(O)(=O)CP(O)(O)=O
Synonym	methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid
IUPAC Name	(phosphonomethyl)phosphonic acid
InChI Key	MBKDYNNUVRNNRF-UHFFFAOYSA-N
Molecular Formula	CH6O6P2

Organic phosphonic acids and derivatives

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