[2,3-bis(4-acetyloxyphenyl)phenyl]-(phenylmethyl)phosphanium bromide

Systemtic Name: [2,3-bis(4-acetyloxyphenyl)phenyl]-(phenylmethyl)phosphanium bromide Openeye Name: benzyl-[2,3-bis(4-acetoxyphenyl)phenyl]phosphonium bromide CAS Name: [2,3-bis(4-acetyloxyphenyl)phenyl]-(phenylmethyl)phosphonium bromide IUPAC Name: benzyl-[2,3-bis(4-acetyloxyphenyl)phenyl]phosphanium bromide Traditional Name: benzyl-[2,3-bis(4-acetoxyphenyl)phenyl]phosphonium bromide Formula: C29H26BrO4P MolecularWeight: 549.392101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C(C(=CC=C2)[PH2+]CC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C.[Br-]

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(C(=CC=C2)[PH2+]CC3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C.[Br-]

InChI

InChI=1S/C29H25O4P.BrH/c1-20(30)32-25-15-11-23(12-16-25)27-9-6-10-28(34-19-22-7-4-3-5-8-22)29(27)24-13-17-26(18-14-24)33-21(2)31;/h3-18,34H,19H2,1-2H3;1H