2-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]propyl]sulfanylbenzoic acid

Systemtic Name: 2-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]propyl]sulfanylbenzoic acid Openeye Name: 2-[2-hydroxy-3-methoxy-3-oxo-1-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]propyl]sulfanylbenzoic acid CAS Name: 2-[[2-hydroxy-3-methoxy-3-oxo-1-[2-[6-(phenylthio)hexylthio]phenyl]propyl]thio]benzoic acid IUPAC Name: 2-[2-hydroxy-3-methoxy-3-oxo-1-[2-(6-phenylsulfanylhexylsulfanyl)phenyl]propyl]sulfanylbenzoic acid Traditional Name: 2-[[2-hydroxy-3-keto-3-methoxy-1-[2-[6-(phenylthio)hexylthio]phenyl]propyl]thio]benzoic acid Formula: C29H32O5S3 MolecularWeight: 556.75638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1SCCCCCCSC2=CC=CC=C2)SC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1SCCCCCCSC2=CC=CC=C2)SC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C29H32O5S3/c1-34-29(33)26(30)27(37-25-18-10-8-16-23(25)28(31)32)22-15-7-9-17-24(22)36-20-12-3-2-11-19-35-21-13-5-4-6-14-21/h4-10,13-18,26-27,30H,2-3,11-12,19-20H2,1H3,(H,31,32)