3-[2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(2-thioxobutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(2-thioxobutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C14H17NO3S3 MolecularWeight: 343.48468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)O

Isomeric SMILES

CCC(=S)C=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)O

InChI

InChI=1S/C14H17NO3S3/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18)