3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(2-methyl-3-benzo[f][1,3]benzothiazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C15H16NO3S2+ MolecularWeight: 322.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCCS(=O)(=O)O

InChI

InChI=1S/C15H15NO3S2/c1-11-16(7-4-8-21(17,18)19)14-9-12-5-2-3-6-13(12)10-15(14)20-11/h2-3,5-6,9-10H,4,7-8H2,1H3/p+1