3-[5-chloranyl-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[5-chloranyl-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C13H14ClNO3S3 MolecularWeight: 363.90316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C=C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O

Isomeric SMILES

CC(=S)C=C1N(C2=C(S1)C=CC(=C2)Cl)CCCS(=O)(=O)O

InChI

InChI=1S/C13H14ClNO3S3/c1-9(19)7-13-15(5-2-6-21(16,17)18)11-8-10(14)3-4-12(11)20-13/h3-4,7-8H,2,5-6H2,1H3,(H,16,17,18)