287185-31-3
10-TERT-BUTYL-8-(((3-(TERT-BUTYL-10,11-DIHYDRO-9H-BENZO[A]XANTHEN-8-YL)METHYLENE)-2-CHLOROCYCLOHEX-1-ENYL)METHYLENE)-8,9,10,11-TETRAHYDROBENZO[A]XANTHENIUM PERCHLORATE
Name10-TERT-BUTYL-8-(((3-(TERT-BUTYL-10,11-DIHYDRO-9H-BENZO[A]XANTHEN-8-YL)METHYLENE)-2-CHLOROCYCLOHEX-1-ENYL)METHYLENE)-8,9,10,11-TETRAHYDROBENZO[A]XANTHENIUM PERCHLORATE
FormulaC50 H50 Cl O2 . Cl O4
1Identification
【Name】
10-TERT-BUTYL-8-(((3-(TERT-BUTYL-10,11-DIHYDRO-9H-BENZO[A]XANTHEN-8-YL)METHYLENE)-2-CHLOROCYCLOHEX-1-ENYL)METHYLENE)-8,9,10,11-TETRAHYDROBENZO[A]XANTHENIUM PERCHLORATE
【CAS】
【MDL】
MFCD03093236
【English Synonyms】
【Formula】
C50 H50 Cl O2 . Cl O4
【MolWeight】
817.845
【Inchi】
InChI=1S/C50H50ClO2.ClHO4/c1-49(2,3)38-24-34(47-36(26-38)28-42-40-16-9-7-12-30(40)18-20-44(42)52-47)22-32-14-11-15-33(46(32)51)23-35-25-39(50(4,5)6)27-37-29-43-41-17-10-8-13-31(41)19-21-45(43)53-48(35)37;2-1(3,4)5/h7-10,12-13,16-23,28-29,38-39H,11,14-15,24-27H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=GOUPTVWMKAYGNW-UHFFFAOYSA-M
【SMILES】
CC(C)(C)C1Cc2cc3c4ccccc4ccc3[o+]c2/C(=C/C5=C(/C(=C/C6=C7C(=Cc8c9ccccc9ccc8O7)CC(C6)C(C)(C)C)/CCC5)Cl)/C1.[O-]Cl(=O)(=O)=O
【MOL File】
10-TERT-BUTYL-8-(((3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:18.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
10-TERT-BUTYL-8-(((3-(TERT-BUTYL-10,11-DIHYDRO-9H-BENZO[A]XANTHEN-8-YL)METHYLENE)-2-CHLOROCYCLOHEX-1-ENYL)METHYLENE)-8,9,10,11-TETRAHYDROBENZO[A]XANTHENIUM PERCHLORATE.cml