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

Systemtic Name: methyl 4-[[2,3-dimethoxy-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxy-benzoate CAS Name: 4-[[[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylmethyl]-3-methoxybenzoate Traditional Name: 4-[[[3-keto-2,3-dimethoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C35H44O6S MolecularWeight: 592.78526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)OC)OC

InChI

InChI=1S/C35H44O6S/c1-38-31-24-28(34(36)40-3)22-23-29(31)25-42-33(32(39-2)35(37)41-4)30-21-15-14-20-27(30)19-13-8-6-5-7-10-16-26-17-11-9-12-18-26/h9,11-12,14-15,17-18,20-24,32-33H,5-8,10,13,16,19,25H2,1-4H3