tetrasodium N-(3,4-diphosphonatophenyl)ethanethioamide

Systemtic Name: tetrasodium N-(3,4-diphosphonatophenyl)ethanethioamide Openeye Name: tetrasodium N-(3,4-diphosphonatophenyl)thioacetamide CAS Name: tetrasodium N-(3,4-diphosphonatophenyl)ethanethioamide IUPAC Name: tetrasodium N-(3,4-diphosphonatophenyl)ethanethioamide Traditional Name: tetrasodium N-(3,4-diphosphonatophenyl)thioacetamide Formula: C8H7NNa4O6P2S MolecularWeight: 399.115882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=CC(=C(C=C1)P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=S)NC1=CC(=C(C=C1)P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C8H11NO6P2S.4Na/c1-5(18)9-6-2-3-7(16(10,11)12)8(4-6)17(13,14)15;;;;/h2-4H,1H3,(H,9,18)(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4