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

Systemtic Name: 3-[5-chloranyl-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: 3-[5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: 3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: 3-[5-chloro-2-(2-sulfanylidenepropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: 3-[5-chloro-2-(2-thioxopropylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C13H13ClNO3S3- MolecularWeight: 362.89522

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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)/p-1