83592-28-3
4-[2-[2-CHLORO-3-[(2-PHENYL-4H-1-BENZOPYRAN-4-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-2-PHENYL-1-BENZOPYRYLIUM PERCHLORATE
Name
4-[2-[2-CHLORO-3-[(2-PHENYL-4H-1-BENZOPYRAN-4-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-2-PHENYL-1-BENZOPYRYLIUM PERCHLORATE
Formula
C40H30Cl2O6
MolWeight
677.577
1Identification
【Name】
4-[2-[2-CHLORO-3-[(2-PHENYL-4H-1-BENZOPYRAN-4-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-2-PHENYL-1-BENZOPYRYLIUM PERCHLORATE
【CAS】
【MDL】
MFCD00214093
【English Synonyms】
【Formula】
C40H30Cl2O6
【MolWeight】
677.577
【Inchi】
InChI=1S/C40H30ClO2.ClHO4/c41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37;2-1(3,4)5/h1-10,12-15,18-27H,11,16-17H2;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=GQCNZASFMNRABQ-UHFFFAOYSA-M
【SMILES】
Cl(=O)(=O)(=O)[O-].ClC1=C(CCCC1=CC=C1C=C(OC2=C1C=CC=C2)C2=CC=CC=C2)C=CC2=CC(=[O+]C1=C2C=CC=C1)C1=CC=CC=C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:13.46
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[2-[2-CHLORO-3-[(2-PHENYL-4H-1-BENZOPYRAN-4-YLIDENE)ETHYLIDENE]-1-CYCLOHEXEN-1-YL]ETHENYL]-2-PHENYL-1-BENZOPYRYLIUM PERCHLORATE.cml
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