[[diphosphonomethyl-(2-methylphenyl)amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[diphosphonomethyl-(2-methylphenyl)amino]-phosphono-methyl]phosphonic acid Openeye Name: [[N-(diphosphonomethyl)-2-methyl-anilino]-phosphono-methyl]phosphonic acid CAS Name: [[N-(diphosphonomethyl)-2-methylanilino]-phosphonomethyl]phosphonic acid IUPAC Name: [[N-(diphosphonomethyl)-2-methylanilino]-phosphonomethyl]phosphonic acid Traditional Name: [[N-(diphosphonomethyl)-2-methyl-anilino]-phosphono-methyl]phosphonic acid Formula: C9H17NO12P4 MolecularWeight: 455.125824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1N(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H17NO12P4/c1-6-4-2-3-5-7(6)10(8(23(11,12)13)24(14,15)16)9(25(17,18)19)26(20,21)22/h2-5,8-9H,1H3,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)