[4-[(phenylmethyl)amino]-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [4-[(phenylmethyl)amino]-1-phosphono-hexyl]phosphonic acid Openeye Name: [4-(benzylamino)-1-phosphono-hexyl]phosphonic acid CAS Name: [4-[(phenylmethyl)amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [4-(benzylamino)-1-phosphonohexyl]phosphonic acid Traditional Name: [4-(benzylamino)-1-phosphono-hexyl]phosphonic acid Formula: C13H23NO6P2 MolecularWeight: 351.272342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO6P2/c1-2-12(14-10-11-6-4-3-5-7-11)8-9-13(21(15,16)17)22(18,19)20/h3-7,12-14H,2,8-10H2,1H3,(H2,15,16,17)(H2,18,19,20)