[2-[(4-methylphenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid

Systemtic Name: [2-[(4-methylphenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-(4-methylanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-(4-methylanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-(4-methylanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [1-phosphono-2-(p-toluidino)-2-thioxo-ethyl]phosphonic acid Formula: C9H13NO6P2S MolecularWeight: 325.215142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H13NO6P2S/c1-6-2-4-7(5-3-6)10-8(19)9(17(11,12)13)18(14,15)16/h2-5,9H,1H3,(H,10,19)(H2,11,12,13)(H2,14,15,16)