[3-[(4-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[(4-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[(4-methylbenzoyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[[(4-methylphenyl)-oxomethyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[(4-methylbenzoyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-1-phosphono-3-(p-toluoylamino)propyl]phosphonic acid Formula: C11H17NO8P2 MolecularWeight: 353.202102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO8P2/c1-8-2-4-9(5-3-8)10(13)12-7-6-11(14,21(15,16)17)22(18,19)20/h2-5,14H,6-7H2,1H3,(H,12,13)(H2,15,16,17)(H2,18,19,20)