17-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylheptadecanoic acid

Systemtic Name: 17-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylheptadecanoic acid Openeye Name: 17-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylheptadecanoic acid CAS Name: 17-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]heptadecanoic acid IUPAC Name: 17-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylheptadecanoic acid Traditional Name: 17-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]heptadecanoic acid Formula: C27H44O5S MolecularWeight: 480.70026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O5S/c28-26(29)20-13-11-9-7-5-3-1-2-4-6-8-10-12-16-23-33-25-19-15-14-18-24(25)32-22-17-21-27(30)31/h14-15,18-19H,1-13,16-17,20-23H2,(H,28,29)(H,30,31)