methyl 2-methoxy-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: methyl 2-methoxy-3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl 2-methoxy-3-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-methoxy-3-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-methoxy-3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[(3-keto-3-methoxy-propyl)thio]-2-methoxy-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C29H40O5S MolecularWeight: 500.6899

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SCCC(=O)OC)C(=O)OC

Isomeric SMILES

COC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)SCCC(=O)OC)C(=O)OC

InChI

InChI=1S/C29H40O5S/c1-32-26(30)21-22-35-28(27(33-2)29(31)34-3)25-20-14-13-19-24(25)18-12-7-5-4-6-9-15-23-16-10-8-11-17-23/h8,10-11,13-14,16-17,19-20,27-28H,4-7,9,12,15,18,21-22H2,1-3H3