3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-oxidanyl-benzoic acid

Systemtic Name: 3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-oxidanyl-benzoic acid Openeye Name: 3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-hydroxy-benzoic acid CAS Name: 3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-hydroxybenzoic acid IUPAC Name: 3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-hydroxybenzoic acid Traditional Name: 3,5-bis[[carboxymethyl(phosphonomethyl)amino]methyl]-4-hydroxy-benzoic acid Formula: C15H22N2O13P2 MolecularWeight: 500.288302

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CN(CC(=O)O)CP(=O)(O)O)O)CN(CC(=O)O)CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CN(CC(=O)O)CP(=O)(O)O)O)CN(CC(=O)O)CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C15H22N2O13P2/c18-12(19)5-16(7-31(25,26)27)3-10-1-9(15(23)24)2-11(14(10)22)4-17(6-13(20)21)8-32(28,29)30/h1-2,22H,3-8H2,(H,18,19)(H,20,21)(H,23,24)(H2,25,26,27)(H2,28,29,30)