[4-[4-[(4-chlorophenyl)carbonylamino]phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[4-[(4-chlorophenyl)carbonylamino]phenyl]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[4-[(4-chlorobenzoyl)amino]phenyl]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[4-[(4-chlorobenzoyl)amino]phenyl]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[4-[(4-chlorobenzoyl)amino]phenyl]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C17H18ClNO8P2 MolecularWeight: 461.727242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(P(=O)(O)O)P(=O)(O)O)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO8P2/c18-13-5-1-12(2-6-13)17(21)19-14-7-3-11(4-8-14)15(20)9-10-16(28(22,23)24)29(25,26)27/h1-8,16H,9-10H2,(H,19,21)(H2,22,23,24)(H2,25,26,27)