2-methyl-1,3-benzothiazole-5,6-disulfonic acid

Systemtic Name: 2-methyl-1,3-benzothiazole-5,6-disulfonic acid Openeye Name: 2-methyl-1,3-benzothiazole-5,6-disulfonic acid CAS Name: 2-methyl-1,3-benzothiazole-5,6-disulfonic acid IUPAC Name: 2-methyl-1,3-benzothiazole-5,6-disulfonic acid Traditional Name: 2-methyl-1,3-benzothiazole-5,6-disulfonic acid Formula: C8H7NO6S3 MolecularWeight: 309.33928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2S1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=CC(=C(C=C2S1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C8H7NO6S3/c1-4-9-5-2-7(17(10,11)12)8(18(13,14)15)3-6(5)16-4/h2-3H,1H3,(H,10,11,12)(H,13,14,15)