126634-30-8
3,10-DIMETHOXY-7-PHENYL-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
Name3,10-DIMETHOXY-7-PHENYL-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
FormulaC25 H21 O3 . Cl O4
1Identification
【Name】
3,10-DIMETHOXY-7-PHENYL-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE
【CAS】
【MDL】
MFCD00799322
【English Synonyms】
【Formula】
C25 H21 O3 . Cl O4
【MolWeight】
468.887
【Inchi】
InChI=1S/C25H21O3.ClHO4/c1-26-18-9-12-20-17(14-18)8-11-22-24(16-6-4-3-5-7-16)21-13-10-19(27-2)15-23(21)28-25(20)22;2-1(3,4)5/h3-7,9-10,12-15H,8,11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=NKDBUSAXHBAXLP-UHFFFAOYSA-M
【SMILES】
COc1ccc-2c(c1)CCc3c2[o+]c4cc(ccc4c3c5ccccc5)OC.[O-]Cl(=O)(=O)=O
【MOL File】
3,10-DIMETHOXY-7-PHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,10-DIMETHOXY-7-PHENYL-6,12A-DIHYDRO-5H-BENZO[C]XANTHYLIUM PERCHLORATE.cml