2-[2-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylethoxy]ethanoic acid

Systemtic Name: 2-[2-[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylethoxy]ethanoic acid Openeye Name: 2-[2-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylethoxy]acetic acid CAS Name: 2-[2-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]ethoxy]acetic acid IUPAC Name: 2-[2-[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylethoxy]acetic acid Traditional Name: 2-[2-[[2-hydroxy-3-keto-3-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]ethoxy]acetic acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SCCOCC(=O)O)O

Isomeric SMILES

COC(=O)C(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SCCOCC(=O)O)O

InChI

InChI=1S/C28H38O6S/c1-33-28(32)26(31)27(35-20-19-34-21-25(29)30)24-18-12-11-17-23(24)16-10-5-3-2-4-7-13-22-14-8-6-9-15-22/h6,8-9,11-12,14-15,17-18,26-27,31H,2-5,7,10,13,16,19-21H2,1H3,(H,29,30)