9-(1,3-benzothiazol-2-yl)-9-sulfanylidene-nonane-1-sulfonic acid

Systemtic Name: 9-(1,3-benzothiazol-2-yl)-9-sulfanylidene-nonane-1-sulfonic acid Openeye Name: 9-(1,3-benzothiazol-2-yl)-9-thioxo-nonane-1-sulfonic acid CAS Name: 9-(1,3-benzothiazol-2-yl)-9-sulfanylidene-1-nonanesulfonic acid IUPAC Name: 9-(1,3-benzothiazol-2-yl)-9-sulfanylidenenonane-1-sulfonic acid Traditional Name: 9-(1,3-benzothiazol-2-yl)-9-thioxo-nonane-1-sulfonic acid Formula: C16H21NO3S3 MolecularWeight: 371.53784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S3/c18-23(19,20)12-8-4-2-1-3-5-10-14(21)16-17-13-9-6-7-11-15(13)22-16/h6-7,9,11H,1-5,8,10,12H2,(H,18,19,20)