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

Systemtic Name: [2-[(4-chlorophenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-(4-chloroanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-(4-chloroanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-(4-chloroanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-(4-chloroanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C8H10ClNO6P2S MolecularWeight: 345.633622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)C(P(=O)(O)O)P(=O)(O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=S)C(P(=O)(O)O)P(=O)(O)O)Cl

InChI

InChI=1S/C8H10ClNO6P2S/c9-5-1-3-6(4-2-5)10-7(19)8(17(11,12)13)18(14,15)16/h1-4,8H,(H,10,19)(H2,11,12,13)(H2,14,15,16)