6-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,3-dimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,3-dimethyl-5-oxidanidylperoxysulfanyl-indol-1-ium-1-yl]hexanoic acid Openeye Name: 6-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]-3,3-dimethyl-5-oxidoperoxysulfanyl-indol-1-ium-1-yl]hexanoic acid CAS Name: 6-[2-[(E)-2-(9-ethyl-3-carbazolyl)ethenyl]-3,3-dimethyl-5-(oxidodioxythio)-1-indol-1-iumyl]hexanoic acid IUPAC Name: 6-[2-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl]hexanoic acid Traditional Name: 6-[2-[(E)-2-(9-ethylcarbazol-3-yl)vinyl]-3,3-dimethyl-5-(oxidoperoxythio)indol-1-ium-1-yl]hexanoic acid Formula: C32H34N2O5S MolecularWeight: 558.68776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C=CC3=[N+](C4=C(C3(C)C)C=C(C=C4)SOO[O-])CCCCCC(=O)O)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)/C=C/C3=[N+](C4=C(C3(C)C)C=C(C=C4)SOO[O-])CCCCCC(=O)O)C5=CC=CC=C51

InChI

InChI=1S/C32H34N2O5S/c1-4-33-27-11-8-7-10-24(27)25-20-22(13-16-28(25)33)14-18-30-32(2,3)26-21-23(40-39-38-37)15-17-29(26)34(30)19-9-5-6-12-31(35)36/h7-8,10-11,13-18,20-21H,4-6,9,12,19H2,1-3H3,(H-,35,36,37)