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

Systemtic Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-1,2-dihydrobenzo[e]indol-3-ium-6-sulfonic acid Openeye Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-1,2-dihydrobenzo[e]indol-3-ium-6-sulfonic acid CAS Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-1,2-dihydrobenzo[e]indol-3-ium-6-sulfonic acid IUPAC Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-1,2-dihydrobenzo[e]indol-3-ium-6-sulfonic acid Traditional Name: 2,3,3-trimethyl-1-(4-sulfobutyl)-1,2-dihydrobenz[e]indol-3-ium-6-sulfonic acid Formula: C19H26NO6S2+ MolecularWeight: 428.54284

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C([N+]1(C)C)C=CC3=C2C=CC=C3S(=O)(=O)O)CCCCS(=O)(=O)O

Isomeric SMILES

CC1C(C2=C([N+]1(C)C)C=CC3=C2C=CC=C3S(=O)(=O)O)CCCCS(=O)(=O)O

InChI

InChI=1S/C19H25NO6S2/c1-13-14(7-4-5-12-27(21,22)23)19-16-8-6-9-18(28(24,25)26)15(16)10-11-17(19)20(13,2)3/h6,8-11,13-14H,4-5,7,12H2,1-3H3,(H-,21,22,23,24,25,26)/p+1