4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-diethoxyphosphinothioylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-methyl-phenyl]-2-diethoxyphosphinothioylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-methylphenyl)-2-(diethoxyphosphinothioylthio)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-methylphenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-methyl-phenyl)-2-(diethoxythiophosphorylthio)-4-keto-butyric acid Formula: C15H19Cl2O5PS2 MolecularWeight: 445.318121

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

Isomeric SMILES

CCOP(=S)(OCC)SC(CC(=O)C1=CC(=C(C(=C1)Cl)C)Cl)C(=O)O

InChI

InChI=1S/C15H19Cl2O5PS2/c1-4-21-23(24,22-5-2)25-14(15(19)20)8-13(18)10-6-11(16)9(3)12(17)7-10/h6-7,14H,4-5,8H2,1-3H3,(H,19,20)