3-[(E)-2-[1-(4-oxidanidylperoxysulfanylbutyl)quinolin-1-ium-4-yl]ethenyl]-9-phenyl-carbazole

Systemtic Name: 3-[(E)-2-[1-(4-oxidanidylperoxysulfanylbutyl)quinolin-1-ium-4-yl]ethenyl]-9-phenyl-carbazole Openeye Name: 3-[(E)-2-[1-(4-oxidoperoxysulfanylbutyl)quinolin-1-ium-4-yl]vinyl]-9-phenyl-carbazole CAS Name: 4-[4-[(E)-2-(9-phenyl-3-carbazolyl)ethenyl]-1-quinolin-1-iumyl]-1-butanesulfenic acid IUPAC Name: 3-[(E)-2-[1-(4-oxidoperoxysulfanylbutyl)quinolin-1-ium-4-yl]ethenyl]-9-phenylcarbazole Traditional Name: 3-[(E)-2-[1-[4-(oxidoperoxythio)butyl]quinolin-1-ium-4-yl]vinyl]-9-phenyl-carbazole Formula: C33H28N2O3S MolecularWeight: 532.65202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C=CC4=CC=[N+](C5=CC=CC=C45)CCCCSOO[O-])C6=CC=CC=C62

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)/C=C/C4=CC=[N+](C5=CC=CC=C45)CCCCSOO[O-])C6=CC=CC=C62

InChI

InChI=1S/C33H28N2O3S/c36-37-38-39-23-9-8-21-34-22-20-26(28-12-4-6-14-31(28)34)18-16-25-17-19-33-30(24-25)29-13-5-7-15-32(29)35(33)27-10-2-1-3-11-27/h1-7,10-20,22,24H,8-9,21,23H2