disodium N-(diphosphonatomethyl)-1,3-benzoxazol-2-amine

Systemtic Name: disodium N-(diphosphonatomethyl)-1,3-benzoxazol-2-amine Openeye Name: disodium N-(diphosphonatomethyl)-1,3-benzoxazol-2-amine CAS Name: disodium N-(diphosphonatomethyl)-1,3-benzoxazol-2-amine IUPAC Name: disodium N-(diphosphonatomethyl)-1,3-benzoxazol-2-amine Traditional Name: disodium 1,3-benzoxazol-2-yl(diphosphonatomethyl)amine Formula: C8H6N2Na2O7P2-2 MolecularWeight: 350.069502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H10N2O7P2.2Na/c11-18(12,13)8(19(14,15)16)10-7-9-5-3-1-2-4-6(5)17-7;;/h1-4,8H,(H,9,10)(H2,11,12,13)(H2,14,15,16);;/q;2*+1/p-4