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

Systemtic Name: 3,5-bis(2,2-diphosphonoethylamino)benzoic acid Openeye Name: 3,5-bis(2,2-diphosphonoethylamino)benzoic acid CAS Name: 3,5-bis(2,2-diphosphonoethylamino)benzoic acid IUPAC Name: 3,5-bis(2,2-diphosphonoethylamino)benzoic acid Traditional Name: 3,5-bis(2,2-diphosphonoethylamino)benzoic acid Formula: C11H20N2O14P4 MolecularWeight: 528.176544

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NCC(P(=O)(O)O)P(=O)(O)O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1NCC(P(=O)(O)O)P(=O)(O)O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C11H20N2O14P4/c14-11(15)6-1-7(12-4-9(28(16,17)18)29(19,20)21)3-8(2-6)13-5-10(30(22,23)24)31(25,26)27/h1-3,9-10,12-13H,4-5H2,(H,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)