tetrasodium N-(4,6-diphosphonatonaphthalen-1-yl)ethanethioamide

Systemtic Name: tetrasodium N-(4,6-diphosphonatonaphthalen-1-yl)ethanethioamide Openeye Name: tetrasodium N-(4,6-diphosphonato-1-naphthyl)thioacetamide CAS Name: tetrasodium N-(4,6-diphosphonato-1-naphthalenyl)ethanethioamide IUPAC Name: tetrasodium N-(4,6-diphosphonatonaphthalen-1-yl)ethanethioamide Traditional Name: tetrasodium N-(4,6-diphosphonato-1-naphthyl)thioacetamide Formula: C12H9NNa4O6P2S MolecularWeight: 449.174562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NC1=C2C=CC(=CC2=C(C=C1)P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(=S)NC1=C2C=CC(=CC2=C(C=C1)P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H13NO6P2S.4Na/c1-7(22)13-11-4-5-12(21(17,18)19)10-6-8(20(14,15)16)2-3-9(10)11;;;;/h2-6H,1H3,(H,13,22)(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4