(2-azanyl-7-chloranyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-chloranyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-chloro-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C8H8ClN2O4PS MolecularWeight: 294.651881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1OCP(=O)(O)O)N=C(S2)N)Cl

Isomeric SMILES

C1=CC(=C2C(=C1OCP(=O)(O)O)N=C(S2)N)Cl

InChI

InChI=1S/C8H8ClN2O4PS/c9-4-1-2-5(15-3-16(12,13)14)6-7(4)17-8(10)11-6/h1-2H,3H2,(H2,10,11)(H2,12,13,14)