8-methylsulfanyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 8-methylsulfanyl-12-oxidanyl-heptadecanoic acid Openeye Name: 12-hydroxy-8-methylsulfanyl-heptadecanoic acid CAS Name: 12-hydroxy-8-(methylthio)heptadecanoic acid IUPAC Name: 12-hydroxy-8-methylsulfanylheptadecanoic acid Traditional Name: 12-hydroxy-8-(methylthio)heptadecanoic acid Formula: C18H36O3S MolecularWeight: 332.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)O)SC)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O)SC)O

InChI

InChI=1S/C18H36O3S/c1-3-4-7-11-16(19)12-10-14-17(22-2)13-8-5-6-9-15-18(20)21/h16-17,19H,3-15H2,1-2H3,(H,20,21)