[3-[(4-methylphenyl)methylamino]-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [3-[(4-methylphenyl)methylamino]-1-phosphono-pentyl]phosphonic acid Openeye Name: [1-phosphono-3-(p-tolylmethylamino)pentyl]phosphonic acid CAS Name: [3-[(4-methylphenyl)methylamino]-1-phosphonopentyl]phosphonic acid IUPAC Name: [3-[(4-methylphenyl)methylamino]-1-phosphonopentyl]phosphonic acid Traditional Name: [3-[(4-methylbenzyl)amino]-1-phosphono-pentyl]phosphonic acid Formula: C13H23NO6P2 MolecularWeight: 351.272342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(P(=O)(O)O)P(=O)(O)O)NCC1=CC=C(C=C1)C

Isomeric SMILES

CCC(CC(P(=O)(O)O)P(=O)(O)O)NCC1=CC=C(C=C1)C

InChI

InChI=1S/C13H23NO6P2/c1-3-12(8-13(21(15,16)17)22(18,19)20)14-9-11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3,(H2,15,16,17)(H2,18,19,20)