4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid

Systemtic Name: 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Openeye Name: 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid CAS Name: 4-(6-methyl-1,3-benzothiazol-2-yl)-2-thiophenesulfonic acid IUPAC Name: 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Traditional Name: 4-(6-methyl-1,3-benzothiazol-2-yl)thiophene-2-sulfonic acid Formula: C12H9NO3S3 MolecularWeight: 311.39976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CSC(=C3)S(=O)(=O)O

InChI

InChI=1S/C12H9NO3S3/c1-7-2-3-9-10(4-7)18-12(13-9)8-5-11(17-6-8)19(14,15)16/h2-6H,1H3,(H,14,15,16)