methyl 3-oxidanylidene-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate

Systemtic Name: methyl 3-oxidanylidene-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate Openeye Name: methyl 3-oxo-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate CAS Name: 3-oxo-4-[5-(2-phenylphenyl)pentylthio]butanoic acid methyl ester IUPAC Name: methyl 3-oxo-4-[5-(2-phenylphenyl)pentylsulfanyl]butanoate Traditional Name: 3-keto-4-[5-(2-phenylphenyl)pentylthio]butyric acid methyl ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCC1=CC=CC=C1C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCC1=CC=CC=C1C2=CC=CC=C2

InChI

InChI=1S/C22H26O3S/c1-25-22(24)16-20(23)17-26-15-9-3-6-12-19-13-7-8-14-21(19)18-10-4-2-5-11-18/h2,4-5,7-8,10-11,13-14H,3,6,9,12,15-17H2,1H3