[2-azanyl-7-(hydroxymethyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid

Systemtic Name: [2-azanyl-7-(hydroxymethyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Openeye Name: [2-amino-7-(hydroxymethyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid CAS Name: [2-amino-7-(hydroxymethyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid IUPAC Name: [2-amino-7-(hydroxymethyl)-6-thiocyanato-1,3-benzothiazol-4-yl]oxymethylphosphonic acid Traditional Name: (2-amino-7-methylol-6-thiocyanato-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C10H10N3O5PS2 MolecularWeight: 347.307261

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=C1SC#N)CO)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

C1=C(C2=C(C(=C1SC#N)CO)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C10H10N3O5PS2/c11-3-20-7-1-6(18-4-19(15,16)17)8-9(5(7)2-14)21-10(12)13-8/h1,14H,2,4H2,(H2,12,13)(H2,15,16,17)