17-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylheptadecanoic acid

Systemtic Name: 17-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylheptadecanoic acid Openeye Name: 17-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanylheptadecanoic acid CAS Name: 17-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]heptadecanoic acid IUPAC Name: 17-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanylheptadecanoic acid Traditional Name: 17-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]heptadecanoic acid Formula: C27H44O4S2 MolecularWeight: 496.76586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)SCCCCCCCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C27H44O4S2/c28-26(29)20-13-11-9-7-5-3-1-2-4-6-8-10-12-16-22-32-24-18-14-15-19-25(24)33-23-17-21-27(30)31/h14-15,18-19H,1-13,16-17,20-23H2,(H,28,29)(H,30,31)