[4-[(4-phosphonophenyl)carbamoylamino]phenyl]phosphonic acid

Systemtic Name: [4-[(4-phosphonophenyl)carbamoylamino]phenyl]phosphonic acid Openeye Name: [4-[(4-phosphonophenyl)carbamoylamino]phenyl]phosphonic acid CAS Name: [4-[[oxo-(4-phosphonoanilino)methyl]amino]phenyl]phosphonic acid IUPAC Name: [4-[(4-phosphonophenyl)carbamoylamino]phenyl]phosphonic acid Traditional Name: [4-[(4-phosphonophenyl)carbamoylamino]phenyl]phosphonic acid Formula: C13H14N2O7P2 MolecularWeight: 372.206982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H14N2O7P2/c16-13(14-9-1-5-11(6-2-9)23(17,18)19)15-10-3-7-12(8-4-10)24(20,21)22/h1-8H,(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)