methyl 3-[2-methoxy-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-methoxy-2-oxidanylidene-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-methoxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoate CAS Name: 3-[[2-methoxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-methoxy-2-oxo-1-[2-(8-phenyloctyl)phenyl]ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-methoxy-1-[2-(8-phenyloctyl)phenyl]ethyl]thio]propionic acid methyl ester Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4S/c1-30-25(28)20-21-32-26(27(29)31-2)24-19-13-12-18-23(24)17-11-6-4-3-5-8-14-22-15-9-7-10-16-22/h7,9-10,12-13,15-16,18-19,26H,3-6,8,11,14,17,20-21H2,1-2H3