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

Systemtic Name: methyl 4-[2,3-dimethoxy-3-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Openeye Name: methyl 4-[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate CAS Name: 4-[[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2,3-dimethoxy-3-oxo-1-[2-(8-phenyloctyl)phenyl]propyl]sulfanylbenzoate Traditional Name: 4-[[3-keto-2,3-dimethoxy-1-[2-(8-phenyloctyl)phenyl]propyl]thio]benzoic acid methyl ester Formula: C33H40O5S MolecularWeight: 548.7327

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SC3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C33H40O5S/c1-36-30(33(35)38-3)31(39-28-23-21-27(22-24-28)32(34)37-2)29-20-14-13-19-26(29)18-12-7-5-4-6-9-15-25-16-10-8-11-17-25/h8,10-11,13-14,16-17,19-24,30-31H,4-7,9,12,15,18H2,1-3H3