methyl 4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxo-butanoate CAS Name: 4-[7-(2,4-dichlorophenyl)heptylthio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[7-(2,4-dichlorophenyl)heptylsulfanyl]-3-oxobutanoate Traditional Name: 4-[7-(2,4-dichlorophenyl)heptylthio]-3-keto-butyric acid methyl ester Formula: C18H24Cl2O3S MolecularWeight: 391.35236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CSCCCCCCCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CC(=O)CSCCCCCCCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C18H24Cl2O3S/c1-23-18(22)12-16(21)13-24-10-6-4-2-3-5-7-14-8-9-15(19)11-17(14)20/h8-9,11H,2-7,10,12-13H2,1H3