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

Systemtic Name: (3-methoxy-3-oxidanylidene-propyl)sulfanyl 2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: (3-methoxy-3-oxo-propyl)sulfanyl 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid [(3-methoxy-3-oxopropyl)thio] ester IUPAC Name: (3-methoxy-3-oxopropyl)sulfanyl 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid [(3-keto-3-methoxy-propyl)thio] ester Formula: C27H36O5S MolecularWeight: 472.63674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSOC(=O)C(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)O

Isomeric SMILES

COC(=O)CCSOC(=O)C(CC1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)O

InChI

InChI=1S/C27H36O5S/c1-31-26(29)19-20-33-32-27(30)25(28)21-24-18-12-11-17-23(24)16-10-5-3-2-4-7-13-22-14-8-6-9-15-22/h6,8-9,11-12,14-15,17-18,25,28H,2-5,7,10,13,16,19-21H2,1H3