[2-methyl-2-(methylamino)-5-(3-methylphenyl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [2-methyl-2-(methylamino)-5-(3-methylphenyl)-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-hydroxy-2-methyl-2-(methylamino)-5-(m-tolyl)-1-phosphono-pentyl]phosphonic acid CAS Name: [1-hydroxy-2-methyl-2-(methylamino)-5-(3-methylphenyl)-1-phosphonopentyl]phosphonic acid IUPAC Name: [1-hydroxy-2-methyl-2-(methylamino)-5-(3-methylphenyl)-1-phosphonopentyl]phosphonic acid Traditional Name: [1-hydroxy-2-methyl-2-(methylamino)-5-(m-tolyl)-1-phosphono-pentyl]phosphonic acid Formula: C14H25NO7P2 MolecularWeight: 381.298322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

Isomeric SMILES

CC1=CC(=CC=C1)CCCC(C)(C(O)(P(=O)(O)O)P(=O)(O)O)NC

InChI

InChI=1S/C14H25NO7P2/c1-11-6-4-7-12(10-11)8-5-9-13(2,15-3)14(16,23(17,18)19)24(20,21)22/h4,6-7,10,15-16H,5,8-9H2,1-3H3,(H2,17,18,19)(H2,20,21,22)