2-azanyl-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-azanyl-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-amino-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-amino-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-amino-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-amino-4-(phosphonomethoxy)-1,3-benzothiazole-6-carboxylic acid Formula: C9H9N2O6PS MolecularWeight: 304.216321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9N2O6PS/c10-9-11-7-5(17-3-18(14,15)16)1-4(8(12)13)2-6(7)19-9/h1-2H,3H2,(H2,10,11)(H,12,13)(H2,14,15,16)