((2E,4E)-3-Methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dien-1-yl)triphenylphosphonium bromide

Catalog Number

ACM62285987-1

CAS Number

62285-98-7

Structure

Synonyms

[(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]triphenyl-phosphonium bromide

IUPAC Name

[(2E,4E)-3-Methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenylphosphanium;bromide

Molecular Weight

545.53

Molecular Formula

C33H38BrP

Canonical SMILES

CC1=CCCC(C1C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)(C)C.[Br-]

InChI

InChI=1S/C33H38P.BrH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,15-24,32H,14,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+;

InChI Key

KNYAUFVTZONRSZ-IUKQBHTCSA-M

Purity

95%

Complexity

674

Covalently-Bonded Unit Count

2

Exact Mass

544.18945

Heavy Atom Count

35

Monoisotopic Mass

544.18945

Topological Polar Surface Area

0 Ų

• Catalog Number: ACM62285987-1
• CAS Number: 62285-98-7
• Synonyms: [(2E,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadien-1-yl]triphenyl-phosphonium bromide
• IUPAC Name: [(2E,4E)-3-Methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)penta-2,4-dienyl]-triphenylphosphanium;bromide
• Molecular Weight: 545.53
• Molecular Formula: C33H38BrP
• Canonical SMILES: CC1=CCCC(C1C=CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)(C)C.[Br-]
• InChI: InChI=1S/C33H38P.BrH/c1-27(22-23-32-28(2)15-14-25-33(32,3)4)24-26-34(29-16-8-5-9-17-29,30-18-10-6-11-19-30)31-20-12-7-13-21-31;/h5-13,15-24,32H,14,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+
• InChI Key: KNYAUFVTZONRSZ-IUKQBHTCSA-M
• Purity: 95%
• Complexity: 674
• Covalently-Bonded Unit Count: 2
• Exact Mass: 544.18945
• Heavy Atom Count: 35
• Monoisotopic Mass: 544.18945
• Topological Polar Surface Area: 0 Ų