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

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-ethylsulfanyl-1-(phenylmethyl)pyrrol-1-ium-1-yl]ethanal Openeye Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-ethylsulfanyl-pyrrol-1-ium-1-yl]acetaldehyde CAS Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(ethylthio)-1-(phenylmethyl)-1-pyrrol-1-iumyl]acetaldehyde IUPAC Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)-2-ethylsulfanylpyrrol-1-ium-1-yl]acetaldehyde Traditional Name: 2-[1-benzyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(ethylthio)pyrrol-1-ium-1-yl]acetaldehyde Formula: C29H38NO2S+ MolecularWeight: 464.68252

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C[N+]1(CC=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCSC1=CC(=C[N+]1(CC=O)CC2=CC=CC=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C29H37NO2S/c1-8-33-26-18-23(20-30(26,14-15-31)19-21-12-10-9-11-13-21)22-16-24(28(2,3)4)27(32)25(17-22)29(5,6)7/h9-13,15-18,20H,8,14,19H2,1-7H3/p+1