11-(1,3-benzothiazol-2-yl)-11-sulfanylidene-undecane-1-sulfonic acid

Systemtic Name: 11-(1,3-benzothiazol-2-yl)-11-sulfanylidene-undecane-1-sulfonic acid Openeye Name: 11-(1,3-benzothiazol-2-yl)-11-thioxo-undecane-1-sulfonic acid CAS Name: 11-(1,3-benzothiazol-2-yl)-11-sulfanylidene-1-undecanesulfonic acid IUPAC Name: 11-(1,3-benzothiazol-2-yl)-11-sulfanylideneundecane-1-sulfonic acid Traditional Name: 11-(1,3-benzothiazol-2-yl)-11-thioxo-undecane-1-sulfonic acid Formula: C18H25NO3S3 MolecularWeight: 399.591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S3/c20-25(21,22)14-10-6-4-2-1-3-5-7-12-16(23)18-19-15-11-8-9-13-17(15)24-18/h8-9,11,13H,1-7,10,12,14H2,(H,20,21,22)