methylbenzene; triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium; pentabromide

Systemtic Name: methylbenzene; triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium; pentabromide Openeye Name: toluene; triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphonium; pentabromide CAS Name: toluene; triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphonium; pentabromide IUPAC Name: toluene; triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium; pentabromide Traditional Name: toluene; triphenyl-(3,4,5-trimethoxybenzyl)phosphonium; pentabromide Formula: C168H172Br5O15P5 MolecularWeight: 2985.543085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.CC1=CC=CC=C1.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/5C28H28O3P.4C7H8.5BrH/c5*1-29-26-19-22(20-27(30-2)28(26)31-3)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;4*1-7-5-3-2-4-6-7;;;;;/h5*4-20H,21H2,1-3H3;4*2-6H,1H3;5*1H/q5*+1;;;;;;;;;/p-5