5-(1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonic acid Openeye Name: 5-(1,3-benzothiazol-2-yl)-2-methoxy-benzenesulfonic acid CAS Name: 5-(1,3-benzothiazol-2-yl)-2-methoxybenzenesulfonic acid IUPAC Name: 5-(1,3-benzothiazol-2-yl)-2-methoxybenzenesulfonic acid Traditional Name: 5-(1,3-benzothiazol-2-yl)-2-methoxy-besylic acid Formula: C14H11NO4S2 MolecularWeight: 321.37144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)S(=O)(=O)O

InChI

InChI=1S/C14H11NO4S2/c1-19-11-7-6-9(8-13(11)21(16,17)18)14-15-10-4-2-3-5-12(10)20-14/h2-8H,1H3,(H,16,17,18)