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

Systemtic Name: 3-(2-methyl-2H-benzo[e][1,3]benzothiazol-1-yl)propane-1-sulfonic acid Openeye Name: 3-(2-methyl-2H-benzo[e][1,3]benzothiazol-1-yl)propane-1-sulfonic acid CAS Name: 3-(2-methyl-2H-benzo[e][1,3]benzothiazol-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(2-methyl-2H-benzo[e][1,3]benzothiazol-1-yl)propane-1-sulfonic acid Traditional Name: 3-(2-methyl-2H-benzo[e][1,3]benzothiazol-1-yl)propane-1-sulfonic acid Formula: C15H17NO3S2 MolecularWeight: 323.43038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=CC3=CC=CC=C32)CCCS(=O)(=O)O

InChI

InChI=1S/C15H17NO3S2/c1-11-16(9-4-10-21(17,18)19)15-13-6-3-2-5-12(13)7-8-14(15)20-11/h2-3,5-8,11H,4,9-10H2,1H3,(H,17,18,19)