2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfanyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-methylsulfanyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-methylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(methylthio)-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylsulfanylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(methylthio)pyrrol-1-ium-1-yl]acetaldehyde Formula: C28H36NO2S+ MolecularWeight: 450.65594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(CC=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=C[N+](C(=C2)SC)(CC=O)CC3=CC=CC=C3

InChI

InChI=1S/C28H35NO2S/c1-27(2,3)23-15-21(16-24(26(23)31)28(4,5)6)22-17-25(32-7)29(19-22,13-14-30)18-20-11-9-8-10-12-20/h8-12,14-17,19H,13,18H2,1-7H3/p+1