5-(1,3-benzothiazol-2-yl)-1-sulfanyl-cyclohexane-1,2-disulfonic acid

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-1-sulfanyl-cyclohexane-1,2-disulfonic acid Openeye Name: 5-(1,3-benzothiazol-2-yl)-1-sulfanyl-cyclohexane-1,2-disulfonic acid CAS Name: 5-(1,3-benzothiazol-2-yl)-1-mercaptocyclohexane-1,2-disulfonic acid IUPAC Name: 5-(1,3-benzothiazol-2-yl)-1-sulfanylcyclohexane-1,2-disulfonic acid Traditional Name: 5-(1,3-benzothiazol-2-yl)-1-mercapto-cyclohexane-1,2-disulfonic acid Formula: C13H15NO6S4 MolecularWeight: 409.5213

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1C2=NC3=CC=CC=C3S2)(S)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1CC(C(CC1C2=NC3=CC=CC=C3S2)(S)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H15NO6S4/c15-23(16,17)11-6-5-8(7-13(11,21)24(18,19)20)12-14-9-3-1-2-4-10(9)22-12/h1-4,8,11,21H,5-7H2,(H,15,16,17)(H,18,19,20)