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

Systemtic Name: methyl 2-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl 3-hydroxy-2-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: 3-hydroxy-2-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: 3-hydroxy-2-[(3-keto-3-methoxy-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C28H38O5S MolecularWeight: 486.66332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O5S/c1-32-25(29)20-21-34-27(28(31)33-2)26(30)24-19-13-12-18-23(24)17-11-6-4-3-5-8-14-22-15-9-7-10-16-22/h7,9-10,12-13,15-16,18-19,26-27,30H,3-6,8,11,14,17,20-21H2,1-2H3