ethyl 2-hexanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate

Systemtic Name: ethyl 2-hexanoylsulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoate Openeye Name: ethyl 2-hexanoylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate CAS Name: 4-oxo-2-(1-oxohexylthio)-4-(4-phenoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-hexanoylsulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoate Traditional Name: 2-(caproylthio)-4-keto-4-(4-phenoxyphenyl)butyric acid ethyl ester Formula: C24H28O5S MolecularWeight: 428.54112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SC(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)SC(CC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C24H28O5S/c1-3-5-7-12-23(26)30-22(24(27)28-4-2)17-21(25)18-13-15-20(16-14-18)29-19-10-8-6-9-11-19/h6,8-11,13-16,22H,3-5,7,12,17H2,1-2H3