disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonato-propan-1-ol

Systemtic Name: disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonato-propan-1-ol Openeye Name: disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonato-propan-1-ol CAS Name: disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonato-1-propanol IUPAC Name: disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonatopropan-1-ol Traditional Name: disodium 3-[methyl(5-phenylpentyl)amino]-1,1-diphosphonato-propan-1-ol Formula: C15H23NNa2O7P2-2 MolecularWeight: 437.272682

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC=CC=C1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CN(CCCCCC1=CC=CC=C1)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C15H27NO7P2.2Na/c1-16(12-7-3-6-10-14-8-4-2-5-9-14)13-11-15(17,24(18,19)20)25(21,22)23;;/h2,4-5,8-9,17H,3,6-7,10-13H2,1H3,(H2,18,19,20)(H2,21,22,23);;/q;2*+1/p-4