methyl 3-methoxy-4-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanylmethyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanylmethyl]benzoate Openeye Name: methyl 3-methoxy-4-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanylmethyl]benzoate CAS Name: 3-methoxy-4-[[[1-oxo-3-[2-(8-phenyloctyl)phenyl]propoxy]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[3-[2-(8-phenyloctyl)phenyl]propanoyloxysulfanylmethyl]benzoate Traditional Name: 3-methoxy-4-[[3-[2-(8-phenyloctyl)phenyl]propanoyloxythio]methyl]benzoic acid methyl ester Formula: C33H40O5S MolecularWeight: 548.7327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CSOC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CSOC(=O)CCC2=CC=CC=C2CCCCCCCCC3=CC=CC=C3

InChI

InChI=1S/C33H40O5S/c1-36-31-24-29(33(35)37-2)20-21-30(31)25-39-38-32(34)23-22-28-19-13-12-18-27(28)17-11-6-4-3-5-8-14-26-15-9-7-10-16-26/h7,9-10,12-13,15-16,18-21,24H,3-6,8,11,14,17,22-23,25H2,1-2H3