5-(1,3-benzothiazol-2-yl)-5-sulfanylidene-pentane-1-sulfonic acid

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-5-sulfanylidene-pentane-1-sulfonic acid Openeye Name: 5-(1,3-benzothiazol-2-yl)-5-thioxo-pentane-1-sulfonic acid CAS Name: 5-(1,3-benzothiazol-2-yl)-5-sulfanylidene-1-pentanesulfonic acid IUPAC Name: 5-(1,3-benzothiazol-2-yl)-5-sulfanylidenepentane-1-sulfonic acid Traditional Name: 5-(1,3-benzothiazol-2-yl)-5-thioxo-pentane-1-sulfonic acid Formula: C12H13NO3S3 MolecularWeight: 315.43152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S3/c14-19(15,16)8-4-3-6-10(17)12-13-9-5-1-2-7-11(9)18-12/h1-2,5,7H,3-4,6,8H2,(H,14,15,16)