4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonic acid

Systemtic Name: 4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonic acid Openeye Name: 4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonic acid CAS Name: 4-(2-methyl-3-benzo[f][1,3]benzothiazol-3-iumyl)-2-butanesulfonic acid IUPAC Name: 4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonic acid Traditional Name: 4-(2-methylbenzo[f][1,3]benzothiazol-3-ium-3-yl)butane-2-sulfonic acid Formula: C16H18NO3S2+ MolecularWeight: 336.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCC(C)S(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC3=CC=CC=C3C=C2S1)CCC(C)S(=O)(=O)O

InChI

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