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16,16-dimethyl-8-methylsulfanyl-12-oxidanyl-heptadecanoic acid

16,16-dimethyl-8-methylsulfanyl-12-oxidanyl-heptadecanoic acid

Systemtic Name:16,16-dimethyl-8-methylsulfanyl-12-oxidanyl-heptadecanoic acid
Openeye Name:12-hydroxy-16,16-dimethyl-8-methylsulfanyl-heptadecanoic acid
CAS Name:12-hydroxy-16,16-dimethyl-8-(methylthio)heptadecanoic acid
IUPAC Name:12-hydroxy-16,16-dimethyl-8-methylsulfanylheptadecanoic acid
Traditional Name:12-hydroxy-16,16-dimethyl-8-(methylthio)heptadecanoic acid
Formula: C20H40O3S
MolecularWeight: 360.5948
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCC(CCCC(CCCCCCC(=O)O)SC)O


Isomeric SMILES

CC(C)(C)CCCC(CCCC(CCCCCCC(=O)O)SC)O


InChI

InChI=1S/C20H40O3S/c1-20(2,3)16-10-12-17(21)11-9-14-18(24-4)13-7-5-6-8-15-19(22)23/h17-18,21H,5-16H2,1-4H3,(H,22,23)


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