2-methylbenzo[e][1,3]benzothiazole-6-sulfonic acid

Systemtic Name: 2-methylbenzo[e][1,3]benzothiazole-6-sulfonic acid Openeye Name: 2-methylbenzo[e][1,3]benzothiazole-6-sulfonic acid CAS Name: 2-methyl-6-benzo[e][1,3]benzothiazolesulfonic acid IUPAC Name: 2-methylbenzo[e][1,3]benzothiazole-6-sulfonic acid Traditional Name: 2-methylbenzo[e][1,3]benzothiazole-6-sulfonic acid Formula: C12H9NO3S2 MolecularWeight: 279.33476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC3=C2C=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC3=C2C=CC=C3S(=O)(=O)O

InChI

InChI=1S/C12H9NO3S2/c1-7-13-12-9-3-2-4-11(18(14,15)16)8(9)5-6-10(12)17-7/h2-6H,1H3,(H,14,15,16)