sodium 6-methoxy-1,3-benzothiazole-2-carboxylate

Systemtic Name: sodium 6-methoxy-1,3-benzothiazole-2-carboxylate Openeye Name: sodium 6-methoxy-1,3-benzothiazole-2-carboxylate CAS Name: sodium 6-methoxy-1,3-benzothiazole-2-carboxylate IUPAC Name: sodium 6-methoxy-1,3-benzothiazole-2-carboxylate Traditional Name: sodium 6-methoxy-1,3-benzothiazole-2-carboxylate Formula: C9H6NNaO3S MolecularWeight: 231.20361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H7NO3S.Na/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12;/h2-4H,1H3,(H,11,12);/q;+1/p-1