(4-methylphenyl)sulfonyl-diphosphonato-methanamine

Systemtic Name: (4-methylphenyl)sulfonyl-diphosphonato-methanamine Openeye Name: diphosphonato(p-tolylsulfonyl)methanamine CAS Name: (4-methylphenyl)sulfonyl-diphosphonatomethanamine IUPAC Name: (4-methylphenyl)sulfonyl-diphosphonatomethanamine Traditional Name: [diphosphonato(tosyl)methyl]amine Formula: C8H9NO8P2S-4 MolecularWeight: 341.171482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(N)(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(N)(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C8H13NO8P2S/c1-6-2-4-7(5-3-6)20(16,17)8(9,18(10,11)12)19(13,14)15/h2-5H,9H2,1H3,(H2,10,11,12)(H2,13,14,15)/p-4