6-(1,3-benzothiazol-2-yl)-6-sulfanylidene-hexane-1-sulfonic acid

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-6-sulfanylidene-hexane-1-sulfonic acid Openeye Name: 6-(1,3-benzothiazol-2-yl)-6-thioxo-hexane-1-sulfonic acid CAS Name: 6-(1,3-benzothiazol-2-yl)-6-sulfanylidene-1-hexanesulfonic acid IUPAC Name: 6-(1,3-benzothiazol-2-yl)-6-sulfanylidenehexane-1-sulfonic acid Traditional Name: 6-(1,3-benzothiazol-2-yl)-6-thioxo-hexane-1-sulfonic acid Formula: C13H15NO3S3 MolecularWeight: 329.4581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3S3/c15-20(16,17)9-5-1-2-7-11(18)13-14-10-6-3-4-8-12(10)19-13/h3-4,6,8H,1-2,5,7,9H2,(H,15,16,17)