[3,3-dimethyl-4-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]butyl]sulfanyl-methyl-diphenyl-azanium

Systemtic Name: [3,3-dimethyl-4-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]butyl]sulfanyl-methyl-diphenyl-azanium Openeye Name: [4-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]-3,3-dimethyl-butyl]sulfanyl-methyl-diphenyl-ammonium CAS Name: [[4-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-3,3-dimethylbutyl]thio]-methyl-diphenylammonium IUPAC Name: [4-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]-3,3-dimethylbutyl]sulfanyl-methyl-diphenylazanium Traditional Name: [[4-[4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]-3,3-dimethyl-butyl]thio]-methyl-diphenyl-ammonium Formula: C28H34NO2S+ MolecularWeight: 448.64006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC(C)(C)CCS[N+](C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CC(C)(C)CCS[N+](C)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H33NO2S/c1-22(27(30)31)24-17-15-23(16-18-24)21-28(2,3)19-20-32-29(4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,22H,19-21H2,1-4H3/p+1