8-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanyl)phenyl]octyl-triphenyl-phosphanium bromide

Systemtic Name: 8-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanyl)phenyl]octyl-triphenyl-phosphanium bromide Openeye Name: 8-(2,5-dihydroxy-3,4-dimethoxy-6-methyl-phenyl)octyl-triphenyl-phosphonium bromide CAS Name: 8-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octyl-triphenylphosphonium bromide IUPAC Name: 8-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octyl-triphenylphosphanium bromide Traditional Name: 8-(2,5-dihydroxy-3,4-dimethoxy-6-methyl-phenyl)octyl-triphenyl-phosphonium bromide Formula: C35H42BrO4P MolecularWeight: 637.583341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C35H41O4P.BrH/c1-27-31(33(37)35(39-3)34(38-2)32(27)36)25-17-6-4-5-7-18-26-40(28-19-11-8-12-20-28,29-21-13-9-14-22-29)30-23-15-10-16-24-30;/h8-16,19-24H,4-7,17-18,25-26H2,1-3H3,(H-,36,37);1H