[6-[(2-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[(2-methylphenyl)carbonylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [1-hydroxy-6-[(2-methylbenzoyl)amino]-1-phosphono-hexyl]phosphonic acid CAS Name: [1-hydroxy-6-[[(2-methylphenyl)-oxomethyl]amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [1-hydroxy-6-[(2-methylbenzoyl)amino]-1-phosphonohexyl]phosphonic acid Traditional Name: [1-hydroxy-6-(o-toluoylamino)-1-phosphono-hexyl]phosphonic acid Formula: C14H23NO8P2 MolecularWeight: 395.281842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO8P2/c1-11-7-3-4-8-12(11)13(16)15-10-6-2-5-9-14(17,24(18,19)20)25(21,22)23/h3-4,7-8,17H,2,5-6,9-10H2,1H3,(H,15,16)(H2,18,19,20)(H2,21,22,23)