methyl 4-[6-[2,4-bis(chloranyl)-6-phenyl-phenyl]hexylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[6-[2,4-bis(chloranyl)-6-phenyl-phenyl]hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2,4-dichloro-6-phenyl-phenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2,4-dichloro-6-phenylphenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2,4-dichloro-6-phenylphenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(2,4-dichloro-6-phenyl-phenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C23H26Cl2O3S MolecularWeight: 453.42174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26Cl2O3S/c1-28-23(27)15-19(26)16-29-12-8-3-2-7-11-20-21(13-18(24)14-22(20)25)17-9-5-4-6-10-17/h4-6,9-10,13-14H,2-3,7-8,11-12,15-16H2,1H3