4-(2-diphenylphosphinothioylethanoylamino)benzoic acid

Systemtic Name: 4-(2-diphenylphosphinothioylethanoylamino)benzoic acid Openeye Name: 4-[(2-diphenylphosphinothioylacetyl)amino]benzoic acid CAS Name: 4-[(2-diphenylphosphinothioyl-1-oxoethyl)amino]benzoic acid IUPAC Name: 4-[(2-diphenylphosphinothioylacetyl)amino]benzoic acid Traditional Name: 4-[(2-diphenylthiophosphorylacetyl)amino]benzoic acid Formula: C21H18NO3PS MolecularWeight: 395.411281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=S)(CC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)P(=S)(CC(=O)NC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H18NO3PS/c23-20(22-17-13-11-16(12-14-17)21(24)25)15-26(27,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2,(H,22,23)(H,24,25)