2-butyl-6-oxidanyl-1,3-benzothiazole-5-carboxylate

Systemtic Name: 2-butyl-6-oxidanyl-1,3-benzothiazole-5-carboxylate Openeye Name: 2-butyl-6-hydroxy-1,3-benzothiazole-5-carboxylate CAS Name: 2-butyl-6-hydroxy-1,3-benzothiazole-5-carboxylate IUPAC Name: 2-butyl-6-hydroxy-1,3-benzothiazole-5-carboxylate Traditional Name: 2-butyl-6-hydroxy-1,3-benzothiazole-5-carboxylate Formula: C12H12NO3S- MolecularWeight: 250.29358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])O

Isomeric SMILES

CCCCC1=NC2=C(S1)C=C(C(=C2)C(=O)[O-])O

InChI

InChI=1S/C12H13NO3S/c1-2-3-4-11-13-8-5-7(12(15)16)9(14)6-10(8)17-11/h5-6,14H,2-4H2,1H3,(H,15,16)/p-1