2-cyclohexyl-1,3-benzothiazole disulfate

Systemtic Name: 2-cyclohexyl-1,3-benzothiazole disulfate Openeye Name: 2-cyclohexyl-1,3-benzothiazole disulfate CAS Name: 2-cyclohexyl-1,3-benzothiazole disulfate IUPAC Name: 2-cyclohexyl-1,3-benzothiazole disulfate Traditional Name: 2-cyclohexyl-1,3-benzothiazole disulfate Formula: C13H15NO8S3-4 MolecularWeight: 409.4551

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC3=CC=CC=C3S2.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NC3=CC=CC=C3S2.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H15NS.2H2O4S/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-5(2,3)4/h4-5,8-10H,1-3,6-7H2;2*(H2,1,2,3,4)/p-4