Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

436 – 450 of 55,094 results

436

(4-Methoxyphenyl)acetonitrile, 97%

CAS: 104-47-2 MDL Number: MFCD00001919 InChI Key: PACGLQCRGWFBJH-UHFFFAOYSA-N Synonym: 4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile PubChem CID: 66031 IUPAC Name: 2-(4-methoxyphenyl)acetonitrile SMILES: COC1=CC=C(C=C1)CC#N

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Specifications

PubChem CID	66031
CAS	104-47-2
MDL Number	MFCD00001919
SMILES	COC1=CC=C(C=C1)CC#N
Synonym	4-methoxyphenylacetonitrile,2-4-methoxyphenyl acetonitrile,4-methoxybenzyl cyanide,4-methoxyphenyl acetonitrile,p-methoxyphenylacetonitrile,benzeneacetonitrile, 4-methoxy,p-methoxybenzyl cyanide,anisylacetonitrile,4-anisyl cyanide,p-methoxybenzeneacetonitrile
IUPAC Name	2-(4-methoxyphenyl)acetonitrile
InChI Key	PACGLQCRGWFBJH-UHFFFAOYSA-N

437

3-Bromobenzoic acid, 99%

CAS: 585-76-2 Molecular Formula: C₇H₅BrO₂ Molecular Weight (g/mol): 201.02 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O

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Specifications

PubChem CID	11456
CAS	585-76-2
Molecular Weight (g/mol)	201.02
MDL Number	MFCD00002487
SMILES	C1=CC(=CC(=C1)Br)C(=O)O
Synonym	m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid
IUPAC Name	3-bromobenzoic acid
InChI Key	VOIZNVUXCQLQHS-UHFFFAOYSA-N
Molecular Formula	C₇H₅BrO₂

438

4-Phenoxybenzaldehyde, 98%

CAS: 67-36-7 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00003383 InChI Key: QWLHJVDRPZNVBS-UHFFFAOYSA-N Synonym: p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde PubChem CID: 66139 IUPAC Name: 4-phenoxybenzaldehyde SMILES: O=CC1=CC=C(OC2=CC=CC=C2)C=C1

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Specifications

PubChem CID	66139
CAS	67-36-7
Molecular Weight (g/mol)	198.22
MDL Number	MFCD00003383
SMILES	O=CC1=CC=C(OC2=CC=CC=C2)C=C1
Synonym	p-phenoxybenzaldehyde,4-formyldiphenyl ether,benzaldehyde, p-phenoxy,benzaldehyde, 4-phenoxy,4-phenoxy-benzaldehyde,4-phenyloxy benzaldehyde,diphenyl ether 4-carboxaldehyde,zlchem 548,4-formyldiphenylether,4-phenoxy benzaldehyde
IUPAC Name	4-phenoxybenzaldehyde
InChI Key	QWLHJVDRPZNVBS-UHFFFAOYSA-N
Molecular Formula	C13H10O2

439

Phenyl chlorothionocarbonate, 99%

CAS: 1005-56-7 Molecular Formula: C7H5ClOS Molecular Weight (g/mol): 172.63 MDL Number: MFCD00004920 InChI Key: KOSYAAIZOGNATQ-UHFFFAOYSA-N Synonym: o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate PubChem CID: 70498 IUPAC Name: O-phenyl chloromethanethioate SMILES: ClC(=S)OC1=CC=CC=C1

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Specifications

PubChem CID	70498
CAS	1005-56-7
Molecular Weight (g/mol)	172.63
MDL Number	MFCD00004920
SMILES	ClC(=S)OC1=CC=CC=C1
Synonym	o-phenyl carbonochloridothioate,phenyl chlorothionoformate,o-phenyl chlorothioformate,phenyl chlorothioformate,phenyl thioxochloroformate,phenyl chlorothionocarbonate,phenoxythiocarbonyl chloride,chlorothioformic acid phenyl ester,o-phenyl chlorothionoformate,o-phenyl chlorothiocarbonate
IUPAC Name	O-phenyl chloromethanethioate
InChI Key	KOSYAAIZOGNATQ-UHFFFAOYSA-N
Molecular Formula	C7H5ClOS

440

1,2-Diiodobenzene, 98%

CAS: 615-42-9 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.91 MDL Number: MFCD00001038 InChI Key: BBOLNFYSRZVALD-UHFFFAOYSA-N Synonym: o-diiodobenzene,benzene, 1,2-diiodo,benzene, o-diiodo,diiodobenzene,benzene, diiodo,benzene,2-diiodo,pubchem3831,1,2-diiodobenzene PubChem CID: 11994 IUPAC Name: 1,2-diiodobenzene SMILES: IC1=CC=CC=C1I

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Specifications

PubChem CID	11994
CAS	615-42-9
Molecular Weight (g/mol)	329.91
MDL Number	MFCD00001038
SMILES	IC1=CC=CC=C1I
Synonym	o-diiodobenzene,benzene, 1,2-diiodo,benzene, o-diiodo,diiodobenzene,benzene, diiodo,benzene,2-diiodo,pubchem3831,1,2-diiodobenzene
IUPAC Name	1,2-diiodobenzene
InChI Key	BBOLNFYSRZVALD-UHFFFAOYSA-N
Molecular Formula	C6H4I2

441

3,5-Dichlorobenzyl alcohol, 98%, Thermo Scientific™

CAS: 60211-57-6 Molecular Formula: C₇H₆Cl₂O Molecular Weight (g/mol): 177.03 MDL Number: MFCD00004634 InChI Key: VSNNLLQKDRCKCB-UHFFFAOYSA-N Synonym: 3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908 PubChem CID: 43236 IUPAC Name: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

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Specifications

PubChem CID	43236
CAS	60211-57-6
Molecular Weight (g/mol)	177.03
MDL Number	MFCD00004634
SMILES	C1=C(C=C(C=C1Cl)Cl)CO
Synonym	3,5-dichlorobenzyl alcohol,3,5-dichlorophenyl methanol,benzenemethanol, 3,5-dichloro,3,5-dichlorobenzylalcohol,3,5-dichlorobenzylic alcohol,3,5-dichlorobenzenemethanol,3,5-dicholorbenzylalcohol,3,5-dichlorophenyl methan-1-ol,3, 5-dichlorobenzyl alcohol,pubchem4908
IUPAC Name	(3,5-dichlorophenyl)methanol
InChI Key	VSNNLLQKDRCKCB-UHFFFAOYSA-N
Molecular Formula	C₇H₆Cl₂O

442

3,4,5-Trimethoxyphenol, 98.5+%

CAS: 642-71-7 Molecular Formula: C₉H₁₂O₄ Molecular Weight (g/mol): 184.19 MDL Number: MFCD00008389 InChI Key: VTCDZPUMZAZMSB-UHFFFAOYSA-N Synonym: antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol PubChem CID: 69505 ChEBI: CHEBI:2760 IUPAC Name: 3,4,5-trimethoxyphenol SMILES: COC1=CC(=CC(=C1OC)OC)O

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Specifications

PubChem CID	69505
CAS	642-71-7
Molecular Weight (g/mol)	184.19
ChEBI	CHEBI:2760
MDL Number	MFCD00008389
SMILES	COC1=CC(=CC(=C1OC)OC)O
Synonym	antiarol,phenol, 3,4,5-trimethoxy,3,4,5-trimethoxy phenol,spectrum_000525,specplus_000623,spectrum3_001208,spectrum4_001487,spectrum5_000193,3,4,5-trirnethoxyphenol,3,4,5-trimethoxy-phenol
IUPAC Name	3,4,5-trimethoxyphenol
InChI Key	VTCDZPUMZAZMSB-UHFFFAOYSA-N
Molecular Formula	C₉H₁₂O₄

443

3,4-Dimethoxyphenol, 97%

CAS: 2033-89-8 Molecular Formula: C₈H₁₀O₃ Molecular Weight (g/mol): 154.17 InChI Key: SMFFZOQLHYIRDA-UHFFFAOYSA-N Synonym: phenol, 3,4-dimethoxy,4-hydroxyveratrole,3,4-bis methyloxy phenol,unii-38b43wcu83,3,4-dimethoxy phenol,3,4-dimethoxyphel,3,4,dimethoxyphenol,phenol,4-dimethoxy,3,4-dimethoxy-pheno,pubchem4113 PubChem CID: 16251 IUPAC Name: 3,4-dimethoxyphenol SMILES: COC1=C(C=C(C=C1)O)OC

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Specifications

PubChem CID	16251
CAS	2033-89-8
Molecular Weight (g/mol)	154.17
SMILES	COC1=C(C=C(C=C1)O)OC
Synonym	phenol, 3,4-dimethoxy,4-hydroxyveratrole,3,4-bis methyloxy phenol,unii-38b43wcu83,3,4-dimethoxy phenol,3,4-dimethoxyphel,3,4,dimethoxyphenol,phenol,4-dimethoxy,3,4-dimethoxy-pheno,pubchem4113
IUPAC Name	3,4-dimethoxyphenol
InChI Key	SMFFZOQLHYIRDA-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₃

444

Dimethyl isophthalate, 99%

CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

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Specifications

PubChem CID	15088
CAS	1459-93-4
Molecular Weight (g/mol)	194.19
MDL Number	MFCD00008433
SMILES	COC(=O)C1=CC(=CC=C1)C(=O)OC
Synonym	dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
IUPAC Name	dimethyl benzene-1,3-dicarboxylate
InChI Key	VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula	C10H10O4

445

4-Bromophenylhydrazine hydrochloride, 99%

CAS: 622-88-8 Molecular Formula: C₆H₇BrN₂·HCl Molecular Weight (g/mol): 223.51 MDL Number: MFCD00012941 InChI Key: RGGOWBBBHWTTRE-UHFFFAOYSA-N Synonym: 4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride PubChem CID: 12157 IUPAC Name: (4-bromophenyl)hydrazine;hydrochloride SMILES: C1=CC(=CC=C1NN)Br.Cl

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Specifications

PubChem CID	12157
CAS	622-88-8
Molecular Weight (g/mol)	223.51
MDL Number	MFCD00012941
SMILES	C1=CC(=CC=C1NN)Br.Cl
Synonym	4-bromophenylhydrazine hydrochloride,4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazine hcl,4-bromo phenyl hydrazine hydrochloride,p-bromophenylhydrazine monohydrochloride,hydrazine, 4-bromophenyl-, monohydrochloride,1-4-bromophenyl hydrazine hydrochloride,4-bromophenylhydrazinehydrochloride,p-bromophenylhydrazine hydrochloride
IUPAC Name	(4-bromophenyl)hydrazine;hydrochloride
InChI Key	RGGOWBBBHWTTRE-UHFFFAOYSA-N
Molecular Formula	C₆H₇BrN₂·HCl

446

4-Amino-m-cresol, 99+%

CAS: 2835-99-6 Molecular Formula: C₇H₉NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00007871 InChI Key: QGNGOGOOPUYKMC-UHFFFAOYSA-N Synonym: 4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol PubChem CID: 17819 ChEBI: CHEBI:55546 IUPAC Name: 4-amino-3-methylphenol SMILES: CC1=C(C=CC(=C1)O)N

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Specifications

PubChem CID	17819
CAS	2835-99-6
Molecular Weight (g/mol)	123.15
ChEBI	CHEBI:55546
MDL Number	MFCD00007871
SMILES	CC1=C(C=CC(=C1)O)N
Synonym	4-amino-m-cresol,4-hydroxy-2-methylaniline,3-methyl-4-aminophenol,p-amino-m-cresol,phenol, 4-amino-3-methyl,p-hydroxy-o-toluidine,2-methyl-4-hydroxyaniline,2-amino-5-hydroxytoluene,m-cresol, 4-amino,4-amino-3-cresol
IUPAC Name	4-amino-3-methylphenol
InChI Key	QGNGOGOOPUYKMC-UHFFFAOYSA-N
Molecular Formula	C₇H₉NO

447

2-Hydroxy-5-methoxybenzaldehyde, 98%

CAS: 672-13-9 Molecular Formula: C₈H₈O₃ Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003332 InChI Key: FZHSPPYCNDYIKD-UHFFFAOYSA-N Synonym: 5-methoxysalicylaldehyde,m-anisaldehyde, 6-hydroxy,benzaldehyde, 2-hydroxy-5-methoxy,salicylaldehyde, 5-methoxy,6-hydroxy-m-anisaldehyde,2-hydroxy-5-methoxy-benzaldehyde,5-methoxy-2-hydroxybenzaldehyde,2-hydroxy-5-methoxy benzaldehyde,2-formyl-4-methoxyphenol,pubchem2649 PubChem CID: 95695 IUPAC Name: 2-hydroxy-5-methoxybenzaldehyde SMILES: COC1=CC(=C(C=C1)O)C=O

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Specifications

PubChem CID	95695
CAS	672-13-9
Molecular Weight (g/mol)	152.15
MDL Number	MFCD00003332
SMILES	COC1=CC(=C(C=C1)O)C=O
Synonym	5-methoxysalicylaldehyde,m-anisaldehyde, 6-hydroxy,benzaldehyde, 2-hydroxy-5-methoxy,salicylaldehyde, 5-methoxy,6-hydroxy-m-anisaldehyde,2-hydroxy-5-methoxy-benzaldehyde,5-methoxy-2-hydroxybenzaldehyde,2-hydroxy-5-methoxy benzaldehyde,2-formyl-4-methoxyphenol,pubchem2649
IUPAC Name	2-hydroxy-5-methoxybenzaldehyde
InChI Key	FZHSPPYCNDYIKD-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₃

448

5-Bromo-2-anisaldehyde, 99%

CAS: 25016-01-7 Molecular Formula: C₈H₇BrO₂ Molecular Weight (g/mol): 215.05 MDL Number: MFCD00003347 InChI Key: IJIBRSFAXRFPPN-UHFFFAOYSA-N Synonym: 5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j PubChem CID: 90684 IUPAC Name: 5-bromo-2-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)Br)C=O

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Specifications

PubChem CID	90684
CAS	25016-01-7
Molecular Weight (g/mol)	215.05
MDL Number	MFCD00003347
SMILES	COC1=C(C=C(C=C1)Br)C=O
Synonym	5-bromo-2-anisaldehyde,5-bromo-o-anisaldehyde,2-methoxy-5-bromobenzaldehyde,benzaldehyde, 5-bromo-2-methoxy,5-bromo-2-methoxy-benzaldehyde,pubchem2644,acmc-209ggg,intermediates-zcf02672,o-anisaldehyde, 5-bromo,ksc494q2j
IUPAC Name	5-bromo-2-methoxybenzaldehyde
InChI Key	IJIBRSFAXRFPPN-UHFFFAOYSA-N
Molecular Formula	C₈H₇BrO₂

449

4-Bromo-2-chloroaniline, 99%

CAS: 38762-41-3 Molecular Formula: C₆H₅BrClN Molecular Weight (g/mol): 206.47 MDL Number: MFCD00007660 InChI Key: INMZDDDQLHKGPF-UHFFFAOYSA-N Synonym: 2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline PubChem CID: 610169 IUPAC Name: 4-bromo-2-chloroaniline SMILES: C1=CC(=C(C=C1Br)Cl)N

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Specifications

PubChem CID	610169
CAS	38762-41-3
Molecular Weight (g/mol)	206.47
MDL Number	MFCD00007660
SMILES	C1=CC(=C(C=C1Br)Cl)N
Synonym	2-chloro-4-bromoaniline,4-bromo-2-chloro-phenylamine,benzenamine, 4-bromo-2-chloro,4-bromo-2-chloro-aniline,4-bromo-2-chlorophenylamine,4-bromo-6-chloroaniline,4-bromo-2-chlorobenzenamine,zlchem 546,pubchem3578,2-chloro4-bromoaniline
IUPAC Name	4-bromo-2-chloroaniline
InChI Key	INMZDDDQLHKGPF-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrClN

450

3-Hydroxy-4-nitrobenzaldehyde, 97%

CAS: 704-13-2 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007109 InChI Key: AUBBVPIQUDFRQI-UHFFFAOYSA-N Synonym: benzaldehyde, 3-hydroxy-4-nitro,3-hydroxy-4-nitro-benzaldehyde,4-nitro-3-hydroxybenzaldehyde,3-formyl-6-nitrophenol,acmc-1bm06,ksc495a6r,3-hydroxy-4-nitro benzaldehyde,3-hydroxy-4-nitrobenzaldehyde PubChem CID: 69712 IUPAC Name: 3-hydroxy-4-nitrobenzaldehyde SMILES: OC1=CC(C=O)=CC=C1[N+]([O-])=O

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Specifications

PubChem CID	69712
CAS	704-13-2
Molecular Weight (g/mol)	167.12
MDL Number	MFCD00007109
SMILES	OC1=CC(C=O)=CC=C1[N+]([O-])=O
Synonym	benzaldehyde, 3-hydroxy-4-nitro,3-hydroxy-4-nitro-benzaldehyde,4-nitro-3-hydroxybenzaldehyde,3-formyl-6-nitrophenol,acmc-1bm06,ksc495a6r,3-hydroxy-4-nitro benzaldehyde,3-hydroxy-4-nitrobenzaldehyde
IUPAC Name	3-hydroxy-4-nitrobenzaldehyde
InChI Key	AUBBVPIQUDFRQI-UHFFFAOYSA-N
Molecular Formula	C7H5NO4

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