8-(1,3-benzothiazol-2-yl)-8-sulfanylidene-octane-1-sulfonic acid

Systemtic Name: 8-(1,3-benzothiazol-2-yl)-8-sulfanylidene-octane-1-sulfonic acid Openeye Name: 8-(1,3-benzothiazol-2-yl)-8-thioxo-octane-1-sulfonic acid CAS Name: 8-(1,3-benzothiazol-2-yl)-8-sulfanylidene-1-octanesulfonic acid IUPAC Name: 8-(1,3-benzothiazol-2-yl)-8-sulfanylideneoctane-1-sulfonic acid Traditional Name: 8-(1,3-benzothiazol-2-yl)-8-thioxo-octane-1-sulfonic acid Formula: C15H19NO3S3 MolecularWeight: 357.51126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S3/c17-22(18,19)11-7-3-1-2-4-9-13(20)15-16-12-8-5-6-10-14(12)21-15/h5-6,8,10H,1-4,7,9,11H2,(H,17,18,19)