1-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)pentane-3-sulfonic acid

Systemtic Name: 1-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)pentane-3-sulfonic acid Openeye Name: 1-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)pentane-3-sulfonic acid CAS Name: 1-(2-methyl-3-benzo[g][1,3]benzothiazol-3-iumyl)-3-pentanesulfonic acid IUPAC Name: 1-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)pentane-3-sulfonic acid Traditional Name: 1-(2-methylbenzo[g][1,3]benzothiazol-3-ium-3-yl)pentane-3-sulfonic acid Formula: C17H20NO3S2+ MolecularWeight: 350.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C)S(=O)(=O)O

Isomeric SMILES

CCC(CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C)S(=O)(=O)O

InChI

InChI=1S/C17H19NO3S2/c1-3-14(23(19,20)21)10-11-18-12(2)22-17-15-7-5-4-6-13(15)8-9-16(17)18/h4-9,14H,3,10-11H2,1-2H3/p+1