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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanyl-propane-1,2-disulfonic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanyl-propane-1,2-disulfonic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2-mercaptopropane-1,2-disulfonic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanylpropane-1,2-disulfonic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-mercapto-propane-1,2-disulfonic acid Formula: C10H11NO6S4 MolecularWeight: 369.45744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6S4/c12-20(13,14)6-10(18,21(15,16)17)5-9-11-7-3-1-2-4-8(7)19-9/h1-4,18H,5-6H2,(H,12,13,14)(H,15,16,17)