disodium N-(diphosphonatomethyl)-4-phenyl-1,3-thiazol-2-amine

Systemtic Name: disodium N-(diphosphonatomethyl)-4-phenyl-1,3-thiazol-2-amine Openeye Name: disodium N-(diphosphonatomethyl)-4-phenyl-thiazol-2-amine CAS Name: disodium N-(diphosphonatomethyl)-4-phenyl-2-thiazolamine IUPAC Name: disodium N-(diphosphonatomethyl)-4-phenyl-1,3-thiazol-2-amine Traditional Name: disodium diphosphonatomethyl-(4-phenylthiazol-2-yl)amine Formula: C10H8N2Na2O6P2S-2 MolecularWeight: 392.172382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)NC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C10H12N2O6P2S.2Na/c13-19(14,15)10(20(16,17)18)12-9-11-8(6-21-9)7-4-2-1-3-5-7;;/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18);;/q;2*+1/p-4