methyl 4-[2-methoxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]oxysulfanylbenzoate

Systemtic Name: methyl 4-[2-methoxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]oxysulfanylbenzoate Openeye Name: methyl 4-[2-methoxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]oxysulfanylbenzoate CAS Name: 4-[[2-methoxy-1-oxo-3-[2-(8-phenyloctyl)phenyl]propoxy]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[2-methoxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]oxysulfanylbenzoate Traditional Name: 4-[[2-methoxy-3-[2-(8-phenyloctyl)phenyl]propanoyl]oxythio]benzoic acid methyl ester Formula: C32H38O5S MolecularWeight: 534.70612

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(=O)OSC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(=O)OSC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C32H38O5S/c1-35-30(32(34)37-38-29-22-20-27(21-23-29)31(33)36-2)24-28-19-13-12-18-26(28)17-11-6-4-3-5-8-14-25-15-9-7-10-16-25/h7,9-10,12-13,15-16,18-23,30H,3-6,8,11,14,17,24H2,1-2H3