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

Systemtic Name: methyl 3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl 3-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[(3-keto-3-methoxy-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C28H38O4S MolecularWeight: 470.66392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(CC(=O)OC)C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSC(CC(=O)OC)C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C28H38O4S/c1-31-27(29)20-21-33-26(22-28(30)32-2)25-19-13-12-18-24(25)17-11-6-4-3-5-8-14-23-15-9-7-10-16-23/h7,9-10,12-13,15-16,18-19,26H,3-6,8,11,14,17,20-22H2,1-2H3