[4-[(2-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[(2-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [1-hydroxy-4-[(2-methylbenzoyl)amino]-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[[(2-methylphenyl)-oxomethyl]amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[(2-methylbenzoyl)amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [1-hydroxy-4-(o-toluoylamino)-1-phosphono-butyl]phosphonic acid Formula: C12H19NO8P2 MolecularWeight: 367.228682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H19NO8P2/c1-9-5-2-3-6-10(9)11(14)13-8-4-7-12(15,22(16,17)18)23(19,20)21/h2-3,5-6,15H,4,7-8H2,1H3,(H,13,14)(H2,16,17,18)(H2,19,20,21)