Organooxygen compounds
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(S)-(+)-1,2-Propanediol, 97%
CAS: 4254-15-3 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00004539 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N Synonym: s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo PubChem CID: 439846 ChEBI: CHEBI:29002 SMILES: CC(O)CO
| PubChem CID | 439846 |
|---|---|
| CAS | 4254-15-3 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:29002 |
| MDL Number | MFCD00004539 |
| SMILES | CC(O)CO |
| Synonym | s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
5-Methyl-2-hepten-4-one, predominantly trans, 99%
CAS: 81925-81-7 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00792509 InChI Key: ARJWAURHQDJJAC-GQCTYLIASA-N Synonym: 5-methyl-2-hepten-4-one,filbertone,5-methylhept-2-en-4-one,+/--filbertone,hazelnut ketone,e-5-methyl-2-hepten-4-one,5-methyl-e-2-hepten-4-one,fema no. 3761,e-5-methylhept-2-en-4-one,2e-5-methyl-2-hepten-4-one PubChem CID: 5362588 IUPAC Name: (E)-5-methylhept-2-en-4-one SMILES: CCC(C)C(=O)C=CC
| PubChem CID | 5362588 |
|---|---|
| CAS | 81925-81-7 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00792509 |
| SMILES | CCC(C)C(=O)C=CC |
| Synonym | 5-methyl-2-hepten-4-one,filbertone,5-methylhept-2-en-4-one,+/--filbertone,hazelnut ketone,e-5-methyl-2-hepten-4-one,5-methyl-e-2-hepten-4-one,fema no. 3761,e-5-methylhept-2-en-4-one,2e-5-methyl-2-hepten-4-one |
| IUPAC Name | (E)-5-methylhept-2-en-4-one |
| InChI Key | ARJWAURHQDJJAC-GQCTYLIASA-N |
| Molecular Formula | C8H14O |
4,4'-Dibromobenzil, 97%
CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N PubChem CID: 96430
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| MDL Number | MFCD00000104 |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |
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 |
|---|---|
| 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 |
4'-n-Butylacetophenone, 97%
CAS: 37920-25-5 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017500 InChI Key: MQESVSITPLILCO-UHFFFAOYSA-N Synonym: 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone PubChem CID: 123470 IUPAC Name: 1-(4-butylphenyl)ethanone SMILES: CCCCC1=CC=C(C=C1)C(C)=O
| PubChem CID | 123470 |
|---|---|
| CAS | 37920-25-5 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00017500 |
| SMILES | CCCCC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-butylacetophenone,1-4-butylphenyl ethanone,ethanone, 1-4-butylphenyl,p-butylacetophenone,1-4-butylphenyl ethan-1-one,p-n-butylacetophenone,4'-n-butylacetophenone,unii-6738cf9z8v,1-acetyl-4-butylbenzene,1-4-butyl-phenyl ethanone |
| IUPAC Name | 1-(4-butylphenyl)ethanone |
| InChI Key | MQESVSITPLILCO-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
4-n-Octyloxybenzaldehyde, 97%
CAS: 24083-13-4 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00014136 InChI Key: KVOWZHASDIKNFK-UHFFFAOYSA-N Synonym: 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t PubChem CID: 90358 IUPAC Name: 4-octoxybenzaldehyde SMILES: CCCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 90358 |
|---|---|
| CAS | 24083-13-4 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00014136 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t |
| IUPAC Name | 4-octoxybenzaldehyde |
| InChI Key | KVOWZHASDIKNFK-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
Ethyl 2-chloro-4,4,4-trifluoroacetoacetate, 94%
CAS: 363-58-6 Molecular Formula: C6H6ClF3O3 Molecular Weight (g/mol): 218.56 MDL Number: MFCD00041540 InChI Key: YVWUNJVPOCYLIM-VKHMYHEASA-N Synonym: ethyl 2-chloro-4,4,4-trifluoroacetoacetate,ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate,ethyl 2-chloro-4,4,4-trifluoro-3-oxobutyrate,2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester,2-chloro-4,4,4-trifluoroacetoacetic acid ethyl ester,butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester,zlchem 1230,acmc-1cs5z,ethyl chlorotrifluoroacetoacetate,ethyl 2-chloro-3-keto-trifluorobutyrate PubChem CID: 2737165 IUPAC Name: ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F
| PubChem CID | 2737165 |
|---|---|
| CAS | 363-58-6 |
| Molecular Weight (g/mol) | 218.56 |
| MDL Number | MFCD00041540 |
| SMILES | CCOC(=O)[C@@H](Cl)C(=O)C(F)(F)F |
| Synonym | ethyl 2-chloro-4,4,4-trifluoroacetoacetate,ethyl 2-chloro-3-keto-4,4,4-trifluorobutyrate,ethyl 2-chloro-4,4,4-trifluoro-3-oxobutyrate,2-chloro-4,4,4-trifluoro-3-oxo-butyric acid ethyl ester,2-chloro-4,4,4-trifluoroacetoacetic acid ethyl ester,butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester,zlchem 1230,acmc-1cs5z,ethyl chlorotrifluoroacetoacetate,ethyl 2-chloro-3-keto-trifluorobutyrate |
| IUPAC Name | ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | YVWUNJVPOCYLIM-VKHMYHEASA-N |
| Molecular Formula | C6H6ClF3O3 |
3-Bromo-5-chloro-2-hydroxybenzaldehyde, 97%
CAS: 19652-32-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00051690 InChI Key: KNOYZLVIXXBBIB-UHFFFAOYSA-N Synonym: 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa PubChem CID: 519676 IUPAC Name: 3-bromo-5-chloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Cl
| PubChem CID | 519676 |
|---|---|
| CAS | 19652-32-5 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00051690 |
| SMILES | C1=C(C=C(C(=C1Br)O)C=O)Cl |
| Synonym | 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa |
| IUPAC Name | 3-bromo-5-chloro-2-hydroxybenzaldehyde |
| InChI Key | KNOYZLVIXXBBIB-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
2-(Methylsulfonyl)ethanol, 97%
CAS: 15205-66-0 Molecular Formula: C3H8O3S Molecular Weight (g/mol): 124.154 MDL Number: MFCD00014747 InChI Key: KFTYFTKODBWKOU-UHFFFAOYSA-N Synonym: 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol PubChem CID: 84834 IUPAC Name: 2-methylsulfonylethanol SMILES: CS(=O)(=O)CCO
| PubChem CID | 84834 |
|---|---|
| CAS | 15205-66-0 |
| Molecular Weight (g/mol) | 124.154 |
| MDL Number | MFCD00014747 |
| SMILES | CS(=O)(=O)CCO |
| Synonym | 2-methylsulfonyl ethanol,2-hydroxyethyl methyl sulfone,2-methanesulfonylethanol,2-methanesulfonylethan-1-ol,2-methanesulfonyl-ethanol,2-methanesulfonyl ethanol,ethanol, 2-methylsulfonyl,unii-5fi8eb2k0l,2-methylsulphonyl ethanol,2-methylsulfonyl ethyl alcohol |
| IUPAC Name | 2-methylsulfonylethanol |
| InChI Key | KFTYFTKODBWKOU-UHFFFAOYSA-N |
| Molecular Formula | C3H8O3S |
cis-3-Methylcyclohexanol, 95%, Thermo Scientific Chemicals
CAS: 24965-90-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00067155 InChI Key: HTSABYAWKQAHBT-RQJHMYQMSA-N Synonym: cis-3-methylcyclohexanol,cyclohexanol, 3-methyl-, cis,1s,3r-3-methylcyclohexan-1-ol,3-methyl cyclohexanol, cis,3-methylcyclohexanol, z,cis 3-methylcyclohexanol,cis-3-methyl-cyclohexanol,1s,3r-3-methyl-cyclohexanol,1alpha-3alpha-methylcyclohexanol PubChem CID: 229503 IUPAC Name: (1S,3R)-3-methylcyclohexan-1-ol SMILES: CC1CCCC(C1)O
| PubChem CID | 229503 |
|---|---|
| CAS | 24965-90-0 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00067155 |
| SMILES | CC1CCCC(C1)O |
| Synonym | cis-3-methylcyclohexanol,cyclohexanol, 3-methyl-, cis,1s,3r-3-methylcyclohexan-1-ol,3-methyl cyclohexanol, cis,3-methylcyclohexanol, z,cis 3-methylcyclohexanol,cis-3-methyl-cyclohexanol,1s,3r-3-methyl-cyclohexanol,1alpha-3alpha-methylcyclohexanol |
| IUPAC Name | (1S,3R)-3-methylcyclohexan-1-ol |
| InChI Key | HTSABYAWKQAHBT-RQJHMYQMSA-N |
| Molecular Formula | C7H14O |
Sodium Erythorbate, FCC, 98-100.5%, Spectrum™ Chemical
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CAS: 6381-77-7 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: QNSCGSPRKIPKTN-RKJRWTFHSA-N IUPAC Name: sodium (2R)-2-[(2R)-4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl]-2-hydroxyethan-1-olate SMILES: [Na+].O[C@H](C[O-])[C@H]1OC(O)=C(O)C1=O
| CAS | 6381-77-7 |
|---|---|
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].O[C@H](C[O-])[C@H]1OC(O)=C(O)C1=O |
| IUPAC Name | sodium (2R)-2-[(2R)-4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl]-2-hydroxyethan-1-olate |
| InChI Key | QNSCGSPRKIPKTN-RKJRWTFHSA-N |
| Molecular Formula | C6H7NaO6 |
beta-Ionone, 96%
CAS: 79-77-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC1=C(C(CCC1)(C)C)C=CC(=O)C
| PubChem CID | 638014 |
|---|---|
| CAS | 79-77-6 |
| Molecular Weight (g/mol) | 192.302 |
| ChEBI | CHEBI:32325 |
| MDL Number | MFCD00001549 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=O)C |
| Synonym | beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone |
| IUPAC Name | (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one |
| InChI Key | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| Molecular Formula | C13H20O |
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 |
|---|---|
| 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 |
Tri-n-butyl(1-ethoxyvinyl)tin, 95%
CAS: 97674-02-7 Molecular Formula: C16H34OSn Molecular Weight (g/mol): 361.16 MDL Number: MFCD00010240 InChI Key: HGXJOXHYPGNVNK-UHFFFAOYSA-N Synonym: tributyl 1-ethoxyvinyl stannane,tributyl 1-ethoxyvinyl tin,tributyl 1-ethoxyethenyl stannane,1-ethoxyvinyltributyltin,1-ethoxyvinyl tributyltin,1-ethoxyvinyltri-n-butyltin,1-ethoxyvinyl tributylstannane,1-ethoxyethenyl tributylstannane,tributyl-1-ethoxyvinyl tin,stannane, tributyl 1-ethoxyethenyl PubChem CID: 619414 IUPAC Name: tributyl(1-ethoxyethenyl)stannane SMILES: CCCC[Sn](CCCC)(CCCC)C(=C)OCC
| PubChem CID | 619414 |
|---|---|
| CAS | 97674-02-7 |
| Molecular Weight (g/mol) | 361.16 |
| MDL Number | MFCD00010240 |
| SMILES | CCCC[Sn](CCCC)(CCCC)C(=C)OCC |
| Synonym | tributyl 1-ethoxyvinyl stannane,tributyl 1-ethoxyvinyl tin,tributyl 1-ethoxyethenyl stannane,1-ethoxyvinyltributyltin,1-ethoxyvinyl tributyltin,1-ethoxyvinyltri-n-butyltin,1-ethoxyvinyl tributylstannane,1-ethoxyethenyl tributylstannane,tributyl-1-ethoxyvinyl tin,stannane, tributyl 1-ethoxyethenyl |
| IUPAC Name | tributyl(1-ethoxyethenyl)stannane |
| InChI Key | HGXJOXHYPGNVNK-UHFFFAOYSA-N |
| Molecular Formula | C16H34OSn |
L-Ascorbic Acid ACS AR, Macron Fine Chemicals™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |