3,5-bis(2-phosphonoethanoylamino)benzoic acid

Systemtic Name: 3,5-bis(2-phosphonoethanoylamino)benzoic acid Openeye Name: 3,5-bis[(2-phosphonoacetyl)amino]benzoic acid CAS Name: 3,5-bis[(1-oxo-2-phosphonoethyl)amino]benzoic acid IUPAC Name: 3,5-bis[(2-phosphonoacetyl)amino]benzoic acid Traditional Name: 3,5-bis[(2-phosphonoacetyl)amino]benzoic acid Formula: C11H14N2O10P2 MolecularWeight: 396.183782

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C11H14N2O10P2/c14-9(4-24(18,19)20)12-7-1-6(11(16)17)2-8(3-7)13-10(15)5-25(21,22)23/h1-3H,4-5H2,(H,12,14)(H,13,15)(H,16,17)(H2,18,19,20)(H2,21,22,23)