6-tert-butyl-8-[3-[(E)-2-(4-methylperoxysulfanylphenyl)prop-1-enyl]phenyl]quinoline

Systemtic Name: 6-tert-butyl-8-[3-[(E)-2-(4-methylperoxysulfanylphenyl)prop-1-enyl]phenyl]quinoline Openeye Name: 6-tert-butyl-8-[3-[(E)-2-(4-methylperoxysulfanylphenyl)prop-1-enyl]phenyl]quinoline CAS Name: 4-[(E)-1-[3-(6-tert-butyl-8-quinolinyl)phenyl]prop-1-en-2-yl]benzenesulfenic acid methoxy ester IUPAC Name: 6-tert-butyl-8-[3-[(E)-2-(4-methylperoxysulfanylphenyl)prop-1-enyl]phenyl]quinoline Traditional Name: 6-tert-butyl-8-[3-[(E)-2-[4-(methylperoxythio)phenyl]prop-1-enyl]phenyl]quinoline Formula: C29H29NO2S MolecularWeight: 455.61106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C)C=CC=N3)C4=CC=C(C=C4)SOOC

Isomeric SMILES

C/C(=C\C1=CC=CC(=C1)C2=C3C(=CC(=C2)C(C)(C)C)C=CC=N3)/C4=CC=C(C=C4)SOOC

InChI

InChI=1S/C29H29NO2S/c1-20(22-11-13-26(14-12-22)33-32-31-5)16-21-8-6-9-23(17-21)27-19-25(29(2,3)4)18-24-10-7-15-30-28(24)27/h6-19H,1-5H3/b20-16+