(2-acetyloxy-3,4,6-trimethyl-5-oxidanyl-phenyl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (2-acetyloxy-3,4,6-trimethyl-5-oxidanyl-phenyl)methyl-triphenyl-phosphanium chloride Openeye Name: (2-acetoxy-5-hydroxy-3,4,6-trimethyl-phenyl)methyl-triphenyl-phosphonium chloride CAS Name: (2-acetyloxy-5-hydroxy-3,4,6-trimethylphenyl)methyl-triphenylphosphonium chloride IUPAC Name: (2-acetyloxy-5-hydroxy-3,4,6-trimethylphenyl)methyl-triphenylphosphanium chloride Traditional Name: (2-acetoxy-5-hydroxy-3,4,6-trimethyl-benzyl)-triphenyl-phosphonium chloride Formula: C30H30ClO3P MolecularWeight: 504.984161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H29O3P.ClH/c1-21-22(2)30(33-24(4)31)28(23(3)29(21)32)20-34(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;/h5-19H,20H2,1-4H3;1H