disodium [(4-phenoxybutylamino)-phosphonato-methyl]phosphonic acid

Systemtic Name: disodium [(4-phenoxybutylamino)-phosphonato-methyl]phosphonic acid Openeye Name: disodium [(4-phenoxybutylamino)-phosphonato-methyl]phosphonic acid CAS Name: disodium [(4-phenoxybutylamino)-phosphonatomethyl]phosphonic acid IUPAC Name: disodium [(4-phenoxybutylamino)-phosphonatomethyl]phosphonic acid Traditional Name: disodium [(4-phenoxybutylamino)-phosphonato-methyl]phosphonic acid Formula: C11H17NNa2O7P2 MolecularWeight: 383.182242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(P(=O)(O)O)P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C11H19NO7P2.2Na/c13-20(14,15)11(21(16,17)18)12-8-4-5-9-19-10-6-2-1-3-7-10;;/h1-3,6-7,11-12H,4-5,8-9H2,(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-2