[3-[(phenylmethyl)amino]-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [3-[(phenylmethyl)amino]-1-phosphono-pentyl]phosphonic acid Openeye Name: [3-(benzylamino)-1-phosphono-pentyl]phosphonic acid CAS Name: [3-[(phenylmethyl)amino]-1-phosphonopentyl]phosphonic acid IUPAC Name: [3-(benzylamino)-1-phosphonopentyl]phosphonic acid Traditional Name: [3-(benzylamino)-1-phosphono-pentyl]phosphonic acid Formula: C12H21NO6P2 MolecularWeight: 337.245762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO6P2/c1-2-11(13-9-10-6-4-3-5-7-10)8-12(20(14,15)16)21(17,18)19/h3-7,11-13H,2,8-9H2,1H3,(H2,14,15,16)(H2,17,18,19)