2-methylsulfanyl-12-oxidanyl-heptadecanoic acid

Systemtic Name: 2-methylsulfanyl-12-oxidanyl-heptadecanoic acid Openeye Name: 12-hydroxy-2-methylsulfanyl-heptadecanoic acid CAS Name: 12-hydroxy-2-(methylthio)heptadecanoic acid IUPAC Name: 12-hydroxy-2-methylsulfanylheptadecanoic acid Traditional Name: 12-hydroxy-2-(methylthio)heptadecanoic acid Formula: C18H36O3S MolecularWeight: 332.54164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCCCCCCC(C(=O)O)SC)O

Isomeric SMILES

CCCCCC(CCCCCCCCCC(C(=O)O)SC)O

InChI

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