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

Systemtic Name: [2-[(2-methoxyphenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-(2-methoxyanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-(2-methoxyanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-(2-methoxyanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-(o-anisidino)-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C9H13NO7P2S MolecularWeight: 341.214542

Click to see the large picture

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)