1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-6-sulfonic acid

Systemtic Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-6-sulfonic acid Openeye Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-6-sulfonic acid CAS Name: 1,1,2-trimethyl-3-(4-sulfobutyl)-6-benzo[e]indol-3-iumsulfonic acid IUPAC Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-6-sulfonic acid Traditional Name: 1,1,2-trimethyl-3-(4-sulfobutyl)benz[e]indol-3-ium-6-sulfonic acid Formula: C19H24NO6S2+ MolecularWeight: 426.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)CCCCS(=O)(=O)O

InChI

InChI=1S/C19H23NO6S2/c1-13-19(2,3)18-15-7-6-8-17(28(24,25)26)14(15)9-10-16(18)20(13)11-4-5-12-27(21,22)23/h6-10H,4-5,11-12H2,1-3H3,(H-,21,22,23,24,25,26)/p+1