4-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)butane-2-sulfonate

Systemtic Name: 4-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)butane-2-sulfonate Openeye Name: 4-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)butane-2-sulfonate CAS Name: 4-(2-methyl-1-benzo[e][1,3]benzothiazol-1-iumyl)-2-butanesulfonate IUPAC Name: 4-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)butane-2-sulfonate Traditional Name: 4-(2-methylbenzo[e][1,3]benzothiazol-1-ium-1-yl)butane-2-sulfonate Formula: C16H17NO3S2 MolecularWeight: 335.44108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCC(C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)CCC(C)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17NO3S2/c1-11(22(18,19)20)9-10-17-12(2)21-15-8-7-13-5-3-4-6-14(13)16(15)17/h3-8,11H,9-10H2,1-2H3