N-(2-methoxyphenyl)-2,2-diphosphonato-ethanethioamide

Systemtic Name: N-(2-methoxyphenyl)-2,2-diphosphonato-ethanethioamide Openeye Name: N-(2-methoxyphenyl)-2,2-diphosphonato-thioacetamide CAS Name: N-(2-methoxyphenyl)-2,2-diphosphonatoethanethioamide IUPAC Name: N-(2-methoxyphenyl)-2,2-diphosphonatoethanethioamide Traditional Name: N-(2-methoxyphenyl)-2,2-diphosphonato-thioacetamide Formula: C9H9NO7P2S-4 MolecularWeight: 337.182782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=S)C(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C9H13NO7P2S/c1-17-7-5-3-2-4-6(7)10-8(20)9(18(11,12)13)19(14,15)16/h2-5,9H,1H3,(H,10,20)(H2,11,12,13)(H2,14,15,16)/p-4