[1-[(4-chlorophenyl)amino]-1-oxidanylidene-2-phosphono-propan-2-yl]phosphonic acid

Systemtic Name: [1-[(4-chlorophenyl)amino]-1-oxidanylidene-2-phosphono-propan-2-yl]phosphonic acid Openeye Name: [2-(4-chloroanilino)-1-methyl-2-oxo-1-phosphono-ethyl]phosphonic acid CAS Name: [1-(4-chloroanilino)-1-oxo-2-phosphonopropan-2-yl]phosphonic acid IUPAC Name: [1-(4-chloroanilino)-1-oxo-2-phosphonopropan-2-yl]phosphonic acid Traditional Name: [2-(4-chloroanilino)-2-keto-1-methyl-1-phosphono-ethyl]phosphonic acid Formula: C9H12ClNO7P2 MolecularWeight: 343.594602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Cl)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H12ClNO7P2/c1-9(19(13,14)15,20(16,17)18)8(12)11-7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,12)(H2,13,14,15)(H2,16,17,18)