6-(1,1,2-trimethyl-7-oxidanidylperoxysulfanyl-benzo[e]indol-3-ium-3-yl)hexanoic acid

Systemtic Name: 6-(1,1,2-trimethyl-7-oxidanidylperoxysulfanyl-benzo[e]indol-3-ium-3-yl)hexanoic acid Openeye Name: 6-(1,1,2-trimethyl-7-oxidoperoxysulfanyl-benzo[e]indol-3-ium-3-yl)hexanoic acid CAS Name: 6-[1,1,2-trimethyl-7-(oxidodioxythio)-3-benzo[e]indol-3-iumyl]hexanoic acid IUPAC Name: 6-(1,1,2-trimethyl-7-oxidoperoxysulfanylbenzo[e]indol-3-ium-3-yl)hexanoic acid Traditional Name: 6-[1,1,2-trimethyl-7-(oxidoperoxythio)benz[e]indol-3-ium-3-yl]hexanoic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)SOO[O-])CCCCCC(=O)O

Isomeric SMILES

CC1=[N+](C2=C(C1(C)C)C3=C(C=C2)C=C(C=C3)SOO[O-])CCCCCC(=O)O

InChI

InChI=1S/C21H25NO5S/c1-14-21(2,3)20-17-10-9-16(28-27-26-25)13-15(17)8-11-18(20)22(14)12-6-4-5-7-19(23)24/h8-11,13H,4-7,12H2,1-3H3,(H-,23,24,25)