[2-[(2-methylphenyl)methylamino]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[(2-methylphenyl)methylamino]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(o-tolylmethylamino)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[(2-methylphenyl)methylamino]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[(2-methylphenyl)methylamino]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[(2-methylbenzyl)amino]-1-phosphono-ethyl]phosphonic acid Formula: C10H17NO6P2 MolecularWeight: 309.192602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1CNCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H17NO6P2/c1-8-4-2-3-5-9(8)6-11-7-10(18(12,13)14)19(15,16)17/h2-5,10-11H,6-7H2,1H3,(H2,12,13,14)(H2,15,16,17)