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

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)sulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: (3-methoxy-3-oxo-propyl)sulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-[2-(8-phenyloctyl)phenyl]propanoic acid [(3-methoxy-3-oxopropyl)thio] ester IUPAC Name: (3-methoxy-3-oxopropyl)sulfanyl 3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-[2-(8-phenyloctyl)phenyl]propionic acid [(3-keto-3-methoxy-propyl)thio] ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSOC(=O)CCC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCSOC(=O)CCC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C27H36O4S/c1-30-26(28)21-22-32-31-27(29)20-19-25-18-12-11-17-24(25)16-10-5-3-2-4-7-13-23-14-8-6-9-15-23/h6,8-9,11-12,14-15,17-18H,2-5,7,10,13,16,19-22H2,1H3