(2-azanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C8H9N2O4PS MolecularWeight: 260.206821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C8H9N2O4PS/c9-8-10-7-5(14-4-15(11,12)13)2-1-3-6(7)16-8/h1-3H,4H2,(H2,9,10)(H2,11,12,13)