[2-(4-isothiocyanatophenyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(4-isothiocyanatophenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(4-isothiocyanatophenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(4-isothiocyanatophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(4-isothiocyanatophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(4-isothiocyanatophenyl)-1-phosphono-ethyl]phosphonic acid Formula: C9H11NO6P2S MolecularWeight: 323.199262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(P(=O)(O)O)P(=O)(O)O)N=C=S

Isomeric SMILES

C1=CC(=CC=C1CC(P(=O)(O)O)P(=O)(O)O)N=C=S

InChI

InChI=1S/C9H11NO6P2S/c11-17(12,13)9(18(14,15)16)5-7-1-3-8(4-2-7)10-6-19/h1-4,9H,5H2,(H2,11,12,13)(H2,14,15,16)