(2-azanyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H11N2O4PS MolecularWeight: 274.233401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C9H11N2O4PS/c1-5-2-6(15-4-16(12,13)14)8-7(3-5)17-9(10)11-8/h2-3H,4H2,1H3,(H2,10,11)(H2,12,13,14)