53282-28-3
(E,E)-[3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENTA-2,4-DIENYL]TRIPHENYLPHOSPHONIUM CHLORIDE
Name
(E,E)-[3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENTA-2,4-DIENYL]TRIPHENYLPHOSPHONIUM CHLORIDE
Formula
C33 H38 P . Cl
MolWeight
501.09
1Identification
【Name】
(E,E)-[3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENTA-2,4-DIENYL]TRIPHENYLPHOSPHONIUM CHLORIDE
【CAS】
【MDL】
MFCD11113100
【English Synonyms】
【Formula】
C33 H38 P . Cl
【MolWeight】
501.09
【Inchi】
InChI=1S/C33H38P.ClH/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;/h5-13,16-24H,14-15,25-26H2,1-4H3;1H/q+1;/p-1/b23-22+,27-24+;
【InChIKey】
InChIKey=CWNBBYCRJLETKC-IUKQBHTCSA-M
【SMILES】
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)/C.[Cl-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E,E)-[3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)PENTA-2,4-DIENYL]TRIPHENYLPHOSPHONIUM CHLORIDE.cml
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