10-(1,3-benzothiazol-2-yl)-10-sulfanylidene-decane-1-sulfonic acid

Systemtic Name: 10-(1,3-benzothiazol-2-yl)-10-sulfanylidene-decane-1-sulfonic acid Openeye Name: 10-(1,3-benzothiazol-2-yl)-10-thioxo-decane-1-sulfonic acid CAS Name: 10-(1,3-benzothiazol-2-yl)-10-sulfanylidene-1-decanesulfonic acid IUPAC Name: 10-(1,3-benzothiazol-2-yl)-10-sulfanylidenedecane-1-sulfonic acid Traditional Name: 10-(1,3-benzothiazol-2-yl)-10-thioxo-decane-1-sulfonic acid Formula: C17H23NO3S3 MolecularWeight: 385.56442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S3/c19-24(20,21)13-9-5-3-1-2-4-6-11-15(22)17-18-14-10-7-8-12-16(14)23-17/h7-8,10,12H,1-6,9,11,13H2,(H,19,20,21)