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

Systemtic Name: methyl 4-[6-[2,6-bis(chloranyl)phenyl]hexylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[6-(2,6-dichlorophenyl)hexylsulfanyl]-3-oxo-butanoate CAS Name: 4-[6-(2,6-dichlorophenyl)hexylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[6-(2,6-dichlorophenyl)hexylsulfanyl]-3-oxobutanoate Traditional Name: 4-[6-(2,6-dichlorophenyl)hexylthio]-3-keto-butyric acid methyl ester Formula: C17H22Cl2O3S MolecularWeight: 377.32578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C17H22Cl2O3S/c1-22-17(21)11-13(20)12-23-10-5-3-2-4-7-14-15(18)8-6-9-16(14)19/h6,8-9H,2-5,7,10-12H2,1H3