methyl 3-oxidanylidene-4-[6-(2-phenylphenyl)hexylsulfanyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-4-[6-(2-phenylphenyl)hexylsulfanyl]butanoate Openeye Name: methyl 3-oxo-4-[6-(2-phenylphenyl)hexylsulfanyl]butanoate CAS Name: 3-oxo-4-[6-(2-phenylphenyl)hexylthio]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-[6-(2-phenylphenyl)hexylsulfanyl]butanoate Traditional Name: 3-keto-4-[6-(2-phenylphenyl)hexylthio]butyric acid methyl ester Formula: C23H28O3S MolecularWeight: 384.53162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C23H28O3S/c1-26-23(25)17-21(24)18-27-16-10-3-2-5-11-20-14-8-9-15-22(20)19-12-6-4-7-13-19/h4,6-9,12-15H,2-3,5,10-11,16-18H2,1H3