4-(3-bromophenyl)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-diisopropoxyphosphinothioylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-[di(propan-2-yloxy)phosphinothioylthio]-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-di(propan-2-yloxy)phosphinothioylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-2-(diisopropoxythiophosphorylthio)-4-keto-butyric acid Formula: C16H22BrO5PS2 MolecularWeight: 469.350641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=S)(OC(C)C)SC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

Isomeric SMILES

CC(C)OP(=S)(OC(C)C)SC(CC(=O)C1=CC(=CC=C1)Br)C(=O)O

InChI

InChI=1S/C16H22BrO5PS2/c1-10(2)21-23(24,22-11(3)4)25-15(16(19)20)9-14(18)12-6-5-7-13(17)8-12/h5-8,10-11,15H,9H2,1-4H3,(H,19,20)