(2-azanyl-6-bromanyl-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-bromanyl-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-bromo-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-bromo-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-bromo-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-bromo-7-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C9H10BrN2O4PS MolecularWeight: 353.129461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)Br

Isomeric SMILES

CC1=C(C=C(C2=C1SC(=N2)N)OCP(=O)(O)O)Br

InChI

InChI=1S/C9H10BrN2O4PS/c1-4-5(10)2-6(16-3-17(13,14)15)7-8(4)18-9(11)12-7/h2H,3H2,1H3,(H2,11,12)(H2,13,14,15)