1-(1,3-benzothiazol-2-yl)-2-sulfanyl-ethane-1,2-disulfonic acid

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-2-sulfanyl-ethane-1,2-disulfonic acid Openeye Name: 1-(1,3-benzothiazol-2-yl)-2-sulfanyl-ethane-1,2-disulfonic acid CAS Name: 1-(1,3-benzothiazol-2-yl)-2-mercaptoethane-1,2-disulfonic acid IUPAC Name: 1-(1,3-benzothiazol-2-yl)-2-sulfanylethane-1,2-disulfonic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-2-mercapto-ethane-1,2-disulfonic acid Formula: C9H9NO6S4 MolecularWeight: 355.43086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C(S)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C(S)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H9NO6S4/c11-19(12,13)7(9(17)20(14,15)16)8-10-5-3-1-2-4-6(5)18-8/h1-4,7,9,17H,(H,11,12,13)(H,14,15,16)