
Organooxygen compounds
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Glyoxylic acid monohydrate, 97%
CAS: 563-96-2 Molecular Formula: C2H4O4 Molecular Weight (g/mol): 92.05 MDL Number: MFCD00149497 InChI Key: MOOYVEVEDVVKGD-UHFFFAOYSA-N Synonym: glyoxylic acid monohydrate,glyoxylic acid hydrate,2-oxoacetic acid hydrate,oxaldehydic acid hydrate,glyoxalic acid monohydrate,glyoxalate, glyoxylate hydrate,glyoxalic acid hydrate,oxoacetate monohydrate,glyoxylic acid-hydrate,oxoacetic acid hydrate PubChem CID: 15620607 IUPAC Name: oxaldehydic acid;hydrate SMILES: C(=O)C(=O)O.O
PubChem CID | 15620607 |
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CAS | 563-96-2 |
Molecular Weight (g/mol) | 92.05 |
MDL Number | MFCD00149497 |
SMILES | C(=O)C(=O)O.O |
Synonym | glyoxylic acid monohydrate,glyoxylic acid hydrate,2-oxoacetic acid hydrate,oxaldehydic acid hydrate,glyoxalic acid monohydrate,glyoxalate, glyoxylate hydrate,glyoxalic acid hydrate,oxoacetate monohydrate,glyoxylic acid-hydrate,oxoacetic acid hydrate |
IUPAC Name | oxaldehydic acid;hydrate |
InChI Key | MOOYVEVEDVVKGD-UHFFFAOYSA-N |
Molecular Formula | C2H4O4 |
4-Nitrobenzo-18-crown-6, 99%
CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
PubChem CID | 602198 |
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CAS | 53408-96-1 |
Molecular Weight (g/mol) | 357.359 |
MDL Number | MFCD00143207 |
SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
Synonym | 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
IUPAC Name | 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene |
InChI Key | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
Molecular Formula | C16H23NO8 |
2-Acetyl-5-methylfuran, 98+%
CAS: 1193-79-9 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00003243 InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone PubChem CID: 14514 ChEBI: CHEBI:562752 IUPAC Name: 1-(5-methylfuran-2-yl)ethanone SMILES: CC1=CC=C(O1)C(=O)C
PubChem CID | 14514 |
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CAS | 1193-79-9 |
Molecular Weight (g/mol) | 124.139 |
ChEBI | CHEBI:562752 |
MDL Number | MFCD00003243 |
SMILES | CC1=CC=C(O1)C(=O)C |
Synonym | 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone |
IUPAC Name | 1-(5-methylfuran-2-yl)ethanone |
InChI Key | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
Molecular Formula | C7H8O2 |
Hexanal, 98%
CAS: 66-25-1 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00007027 InChI Key: JARKCYVAAOWBJS-UHFFFAOYSA-N Synonym: caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 PubChem CID: 6184 IUPAC Name: hexanal SMILES: CCCCCC=O
PubChem CID | 6184 |
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CAS | 66-25-1 |
Molecular Weight (g/mol) | 100.161 |
MDL Number | MFCD00007027 |
SMILES | CCCCCC=O |
Synonym | caproaldehyde,hexaldehyde,caproic aldehyde,capronaldehyde,1-hexanal,n-hexanal,hexanaldehyde,n-caproaldehyde,hexylaldehyde,aldehyde c-6 |
IUPAC Name | hexanal |
InChI Key | JARKCYVAAOWBJS-UHFFFAOYSA-N |
Molecular Formula | C6H12O |
3-Methylthiophene-2-carboxaldehyde, tech. 85%
CAS: 5834-16-2 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005430 InChI Key: BSQKBHXYEKVKMN-UHFFFAOYSA-N Synonym: 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde PubChem CID: 79911 IUPAC Name: 3-methylthiophene-2-carbaldehyde SMILES: CC1=C(SC=C1)C=O
PubChem CID | 79911 |
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CAS | 5834-16-2 |
Molecular Weight (g/mol) | 126.173 |
MDL Number | MFCD00005430 |
SMILES | CC1=C(SC=C1)C=O |
Synonym | 3-methyl-2-thiophenecarboxaldehyde,3-methylthiophene-2-carboxaldehyde,2-formyl-3-methylthiophene,3-methylthiophene-2-aldehyde,3-methyl-2-thiophenecarbaldehyde,3-methyl-2-formylthiophene,3-methyl-2-thiophene carboxaldehyde,2-thiophenecarboxaldehyde, 3-methyl,thiophenecarboxaldehyde, methyl,3-methyl-thiophene-2-carbaldehyde |
IUPAC Name | 3-methylthiophene-2-carbaldehyde |
InChI Key | BSQKBHXYEKVKMN-UHFFFAOYSA-N |
Molecular Formula | C6H6OS |
2,3-Dimethoxybenzaldehyde, 98+%
CAS: 86-51-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00003309 InChI Key: JIVGSHFYXPRRSZ-UHFFFAOYSA-N Synonym: o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 PubChem CID: 66581 IUPAC Name: 2,3-dimethoxybenzaldehyde SMILES: COC1=CC=CC(=C1OC)C=O
PubChem CID | 66581 |
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CAS | 86-51-1 |
Molecular Weight (g/mol) | 166.176 |
MDL Number | MFCD00003309 |
SMILES | COC1=CC=CC(=C1OC)C=O |
Synonym | o-veratraldehyde,benzaldehyde, 2,3-dimethoxy,unii-8alp3sy00l,2,3-dimethoxy-benzaldehyde,8alp3sy00l,benzaldehyde,3-dimethoxy,dimethoxybenzaldehyde,pubchem8216,benzaldehyde, dimethoxy,upcmld00wstructure66 |
IUPAC Name | 2,3-dimethoxybenzaldehyde |
InChI Key | JIVGSHFYXPRRSZ-UHFFFAOYSA-N |
Molecular Formula | C9H10O3 |
2',4',6'-Trimethoxyacetophenone, 98%
CAS: 832-58-6 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00017238 InChI Key: KPZWHZSIXZXDMW-UHFFFAOYSA-N Synonym: 2',4',6'-trimethoxyacetophenone,1-2,4,6-trimethoxyphenyl ethanone,2,4,6-trimethoxyacetophenone,ethanone, 1-2,4,6-trimethoxyphenyl,ethanone,1-2,4,6-trimethoxyphenyl,1-acetyl-2,4,6-trimethoxybenzene,o-methylxanthoxylin,cambridge id 5135317,2,4,6-trimethoxy acetophenone,2/',4/',6/'-trimethoxyacetophenone PubChem CID: 123089 IUPAC Name: 1-(2,4,6-trimethoxyphenyl)ethanone SMILES: COC1=CC(OC)=C(C(C)=O)C(OC)=C1
PubChem CID | 123089 |
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CAS | 832-58-6 |
Molecular Weight (g/mol) | 210.23 |
MDL Number | MFCD00017238 |
SMILES | COC1=CC(OC)=C(C(C)=O)C(OC)=C1 |
Synonym | 2',4',6'-trimethoxyacetophenone,1-2,4,6-trimethoxyphenyl ethanone,2,4,6-trimethoxyacetophenone,ethanone, 1-2,4,6-trimethoxyphenyl,ethanone,1-2,4,6-trimethoxyphenyl,1-acetyl-2,4,6-trimethoxybenzene,o-methylxanthoxylin,cambridge id 5135317,2,4,6-trimethoxy acetophenone,2/',4/',6/'-trimethoxyacetophenone |
IUPAC Name | 1-(2,4,6-trimethoxyphenyl)ethanone |
InChI Key | KPZWHZSIXZXDMW-UHFFFAOYSA-N |
Molecular Formula | C11H14O4 |
Thiophene-2-carboxaldehyde, 98+%
CAS: 98-03-3 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.15 MDL Number: MFCD00005429 InChI Key: CNUDBTRUORMMPA-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene PubChem CID: 7364 ChEBI: CHEBI:87301 IUPAC Name: thiophene-2-carbaldehyde SMILES: O=CC1=CC=CS1
PubChem CID | 7364 |
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CAS | 98-03-3 |
Molecular Weight (g/mol) | 112.15 |
ChEBI | CHEBI:87301 |
MDL Number | MFCD00005429 |
SMILES | O=CC1=CC=CS1 |
Synonym | 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene |
IUPAC Name | thiophene-2-carbaldehyde |
InChI Key | CNUDBTRUORMMPA-UHFFFAOYSA-N |
Molecular Formula | C5H4OS |
2-Butyne-1,4-diol, 98+%
CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O
PubChem CID | 8066 |
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CAS | 110-65-6 |
Molecular Weight (g/mol) | 86.09 |
ChEBI | CHEBI:16413 |
MDL Number | MFCD00002915 |
SMILES | C(C#CCO)O |
Synonym | 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van |
IUPAC Name | but-2-yne-1,4-diol |
InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
Molecular Formula | C4H6O2 |
4'-Iodoacetophenone, 98%
CAS: 13329-40-3 Molecular Formula: C8H7IO Molecular Weight (g/mol): 246.047 MDL Number: MFCD00045320 InChI Key: JZJWCDQGIPQBAO-UHFFFAOYSA-N Synonym: 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone PubChem CID: 72869 IUPAC Name: 1-(4-iodophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)I
PubChem CID | 72869 |
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CAS | 13329-40-3 |
Molecular Weight (g/mol) | 246.047 |
MDL Number | MFCD00045320 |
SMILES | CC(=O)C1=CC=C(C=C1)I |
Synonym | 4'-iodoacetophenone,1-4-iodophenyl ethanone,4-iodoacetophenone,1-4-iodophenyl ethan-1-one,p-iodoacetophenone,ethanone, 1-4-iodophenyl,1-4-iodo-phenyl-ethanone,1-acetyl-4-iodobenzene,4-iodo acetophenone,4;-iodoacetophenone |
IUPAC Name | 1-(4-iodophenyl)ethanone |
InChI Key | JZJWCDQGIPQBAO-UHFFFAOYSA-N |
Molecular Formula | C8H7IO |
8-Methoxypsoralen, 98%
CAS: 298-81-7 Molecular Formula: C12H8O4 Molecular Weight (g/mol): 216.19 MDL Number: MFCD00005009 InChI Key: QXKHYNVANLEOEG-UHFFFAOYSA-N Synonym: methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin PubChem CID: 4114 ChEBI: CHEBI:18358 IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one SMILES: COC1=C2OC=CC2=CC2=C1OC(=O)C=C2
PubChem CID | 4114 |
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CAS | 298-81-7 |
Molecular Weight (g/mol) | 216.19 |
ChEBI | CHEBI:18358 |
MDL Number | MFCD00005009 |
SMILES | COC1=C2OC=CC2=CC2=C1OC(=O)C=C2 |
Synonym | methoxsalen,8-methoxypsoralen,xanthotoxin,meladinine,ammoidin,oxsoralen,meloxine,oxypsoralen,xanthotoxine,meladinin |
IUPAC Name | 9-methoxyfuro[3,2-g]chromen-7-one |
InChI Key | QXKHYNVANLEOEG-UHFFFAOYSA-N |
Molecular Formula | C12H8O4 |
alpha-Bisabolol, 96%
CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD03846910 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
PubChem CID | 1549992 |
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CAS | 515-69-5 |
Molecular Weight (g/mol) | 222.372 |
MDL Number | MFCD03846910 |
SMILES | CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
Synonym | bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 |
IUPAC Name | (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
InChI Key | RGZSQWQPBWRIAQ-LSDHHAIUSA-N |
Molecular Formula | C15H26O |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
PubChem CID | 16716 |
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CAS | 7250-94-4 |
Molecular Weight (g/mol) | 178.19 |
MDL Number | MFCD00017223 |
SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
IUPAC Name | (2-acetylphenyl) acetate |
InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
Desyl chloride, 98%
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethanone SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
PubChem CID | 95343 |
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CAS | 447-31-4 |
Molecular Weight (g/mol) | 230.69 |
MDL Number | MFCD00000858 |
SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
IUPAC Name | 2-chloro-1,2-diphenylethanone |
InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
Molecular Formula | C14H11ClO |
3-Mercapto-1-hexanol, 96%
CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S
PubChem CID | 521348 |
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CAS | 51755-83-0 |
Molecular Weight (g/mol) | 134.237 |
ChEBI | CHEBI:77690 |
MDL Number | MFCD00792515 |
SMILES | CCCC(CCO)S |
Synonym | 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol |
IUPAC Name | 3-sulfanylhexan-1-ol |
InChI Key | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
Molecular Formula | C6H14OS |