[[(4-methylphenyl)-diphosphono-methyl]amino]methylphosphonic acid

Systemtic Name: [[(4-methylphenyl)-diphosphono-methyl]amino]methylphosphonic acid Openeye Name: [[diphosphono(p-tolyl)methyl]amino]methylphosphonic acid CAS Name: [[(4-methylphenyl)-diphosphonomethyl]amino]methylphosphonic acid IUPAC Name: [[(4-methylphenyl)-diphosphonomethyl]amino]methylphosphonic acid Traditional Name: [[diphosphono(p-tolyl)methyl]amino]methylphosphonic acid Formula: C9H16NO9P3 MolecularWeight: 375.145923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16NO9P3/c1-7-2-4-8(5-3-7)9(21(14,15)16,22(17,18)19)10-6-20(11,12)13/h2-5,10H,6H2,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)