3,5-bis[[(2-oxidanidyl-2-oxidanylidene-ethyl)-(phosphonatomethyl)azaniumyl]methyl]-4-oxidanyl-benzoate

Systemtic Name: 3,5-bis[[(2-oxidanidyl-2-oxidanylidene-ethyl)-(phosphonatomethyl)azaniumyl]methyl]-4-oxidanyl-benzoate Openeye Name: 4-hydroxy-3,5-bis[[(2-oxido-2-oxo-ethyl)-(phosphonatomethyl)ammonio]methyl]benzoate CAS Name: 4-hydroxy-3,5-bis[[(2-oxido-2-oxoethyl)-(phosphonatomethyl)ammonio]methyl]benzoate IUPAC Name: 4-hydroxy-3,5-bis[[(2-oxido-2-oxoethyl)-(phosphonatomethyl)azaniumyl]methyl]benzoate Traditional Name: 4-hydroxy-3,5-bis[[(2-keto-2-oxido-ethyl)-(phosphonatomethyl)ammonio]methyl]benzoate Formula: C15H17N2O13P2-5 MolecularWeight: 495.248602

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C[NH+](CC(=O)[O-])CP(=O)([O-])[O-])O)C[NH+](CC(=O)[O-])CP(=O)([O-])[O-])C(=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1C[NH+](CC(=O)[O-])CP(=O)([O-])[O-])O)C[NH+](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)/p-5