1,3-benzothiazole; ethane-1,2-disulfonic acid

Systemtic Name: 1,3-benzothiazole; ethane-1,2-disulfonic acid Openeye Name: 1,3-benzothiazole; ethane-1,2-disulfonic acid CAS Name: 1,3-benzothiazole; ethane-1,2-disulfonic acid IUPAC Name: 1,3-benzothiazole; ethane-1,2-disulfonic acid Traditional Name: 1,3-benzothiazole; ethane-1,2-disulfonic acid Formula: C16H16N2O6S4 MolecularWeight: 460.56804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CS2.C1=CC=C2C(=C1)N=CS2.C(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CS2.C1=CC=C2C(=C1)N=CS2.C(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/2C7H5NS.C2H6O6S2/c2*1-2-4-7-6(3-1)8-5-9-7;3-9(4,5)1-2-10(6,7)8/h2*1-5H;1-2H2,(H,3,4,5)(H,6,7,8)