methyl 3-fluoranyl-4-[[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-fluoranyl-4-[[3-methoxy-2-oxidanyl-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate Openeye Name: methyl 3-fluoro-4-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate CAS Name: 3-fluoro-4-[[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-fluoro-4-[[2-hydroxy-3-methoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]benzoate Traditional Name: 3-fluoro-4-[[[2-hydroxy-3-keto-3-methoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]benzoic acid methyl ester Formula: C33H39FO5S MolecularWeight: 566.723163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)O)F

InChI

InChI=1S/C33H39FO5S/c1-38-32(36)26-20-21-27(29(34)22-26)23-40-31(30(35)33(37)39-2)28-19-13-12-18-25(28)17-11-6-4-3-5-8-14-24-15-9-7-10-16-24/h7,9-10,12-13,15-16,18-22,30-31,35H,3-6,8,11,14,17,23H2,1-2H3