3-[2-(2-sulfanylidenepropylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-(2-sulfanylidenepropylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[2-(2-thioxopropylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid CAS Name: 3-[2-(2-sulfanylidenepropylidene)-1-benzo[e][1,3]benzothiazolyl]-1-propanesulfonic acid IUPAC Name: 3-[2-(2-sulfanylidenepropylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[2-(2-thioxopropylidene)benzo[e][1,3]benzothiazol-1-yl]propane-1-sulfonic acid Formula: C17H17NO3S3 MolecularWeight: 379.51678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)C=C1N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O

Isomeric SMILES

CC(=S)C=C1N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O

InChI

InChI=1S/C17H17NO3S3/c1-12(22)11-16-18(9-4-10-24(19,20)21)17-14-6-3-2-5-13(14)7-8-15(17)23-16/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,20,21)