[[(3,5-dimethylphenyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[(3,5-dimethylphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [(3,5-dimethylanilino)-phosphono-methyl]phosphonic acid CAS Name: [(3,5-dimethylanilino)-phosphonomethyl]phosphonic acid IUPAC Name: [(3,5-dimethylanilino)-phosphonomethyl]phosphonic acid Traditional Name: [(3,5-dimethylanilino)-phosphono-methyl]phosphonic acid Formula: C9H15NO6P2 MolecularWeight: 295.166022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H15NO6P2/c1-6-3-7(2)5-8(4-6)10-9(17(11,12)13)18(14,15)16/h3-5,9-10H,1-2H3,(H2,11,12,13)(H2,14,15,16)