2,5-ditert-butyl-9-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-4,7-dimethyl-xanthen-10-ium-1-ol bromide

Systemtic Name: 2,5-ditert-butyl-9-(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)-4,7-dimethyl-xanthen-10-ium-1-ol bromide Openeye Name: 2,5-ditert-butyl-9-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-4,7-dimethyl-xanthen-10-ium-1-ol bromide CAS Name: 2,5-ditert-butyl-9-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4,7-dimethyl-1-xanthen-10-iumol bromide IUPAC Name: 2,5-ditert-butyl-9-(3-tert-butyl-2-hydroxy-5-methylphenyl)-4,7-dimethylxanthen-10-ium-1-ol bromide Traditional Name: 2,5-ditert-butyl-9-(3-tert-butyl-2-hydroxy-5-methyl-phenyl)-4,7-dimethyl-xanthen-10-ium-1-ol bromide Formula: C34H43BrO3 MolecularWeight: 579.60742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C3C(=C(C=C(C3=[O+]C4=C(C=C(C=C24)C)C(C)(C)C)C)C(C)(C)C)O)O)C(C)(C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C3C(=C(C=C(C3=[O+]C4=C(C=C(C=C24)C)C(C)(C)C)C)C(C)(C)C)O)O)C(C)(C)C.[Br-]

InChI

InChI=1S/C34H42O3.BrH/c1-18-13-21(28(35)23(15-18)32(4,5)6)26-22-14-19(2)16-25(34(10,11)12)31(22)37-30-20(3)17-24(33(7,8)9)29(36)27(26)30;/h13-17H,1-12H3,(H-,35,36);1H