4-(3-bromophenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-bromophenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-bromophenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(3-bromophenyl)-2-(diethoxyphosphinothioylthio)-4-oxobutanoic acid IUPAC Name: 4-(3-bromophenyl)-2-diethoxyphosphinothioylsulfanyl-4-oxobutanoic acid Traditional Name: 4-(3-bromophenyl)-2-(diethoxythiophosphorylthio)-4-keto-butyric acid Formula: C14H18BrO5PS2 MolecularWeight: 441.297481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrO5PS2/c1-3-19-21(22,20-4-2)23-13(14(17)18)9-12(16)10-6-5-7-11(15)8-10/h5-8,13H,3-4,9H2,1-2H3,(H,17,18)