[azanyl-(4-methylphenyl)sulfonyl-phosphono-methyl]phosphonic acid

Systemtic Name: [azanyl-(4-methylphenyl)sulfonyl-phosphono-methyl]phosphonic acid Openeye Name: [amino-phosphono-(p-tolylsulfonyl)methyl]phosphonic acid CAS Name: [amino-(4-methylphenyl)sulfonyl-phosphonomethyl]phosphonic acid IUPAC Name: [amino-(4-methylphenyl)sulfonyl-phosphonomethyl]phosphonic acid Traditional Name: (amino-phosphono-tosyl-methyl)phosphonic acid Formula: C8H13NO8P2S MolecularWeight: 345.203242

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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)