ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole

Systemtic Name: ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole Openeye Name: ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole CAS Name: ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole IUPAC Name: ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole Traditional Name: ethane-1,2-disulfonate; 4,5,6,7-tetrahydro-1,3-benzothiazole Formula: C16H22N2O6S4-2 MolecularWeight: 466.61568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=CS2.C1CCC2=C(C1)N=CS2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)N=CS2.C1CCC2=C(C1)N=CS2.C(CS(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/2C7H9NS.C2H6O6S2/c2*1-2-4-7-6(3-1)8-5-9-7;3-9(4,5)1-2-10(6,7)8/h2*5H,1-4H2;1-2H2,(H,3,4,5)(H,6,7,8)/p-2