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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

Isomeric SMILES

COC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)SC#N

InChI

InChI=1S/C10H10N3O5PS2/c1-17-8-6(20-3-11)2-5(18-4-19(14,15)16)7-9(8)21-10(12)13-7/h2H,4H2,1H3,(H2,12,13)(H2,14,15,16)