41276-95-3
QUINOLINIC PHTHALOCYANINE
NameQUINOLINIC PHTHALOCYANINE
FormulaC32 H26 N12 . 4 C H3 O4 S . Cu
1Identification
【Name】
QUINOLINIC PHTHALOCYANINE
【CAS】
【MDL】
MFCD00065403
【English Synonyms】
【Formula】
C32 H26 N12 . 4 C H3 O4 S . Cu
【MolWeight】
1086.57
【Inchi】
InChI=1S/C32H25N12.4CH4O4S.Cu/c1-41-13-5-9-17-21(41)29-33-25(17)38-30-23-19(11-7-15-43(23)3)27(35-30)40-32-24-20(12-8-16-44(24)4)28(36-32)39-31-22-18(26(34-31)37-29)10-6-14-42(22)2;4*1-5-6(2,3)4;/h5-16H,1-4H3,(H,33,34,35,36,37,38,39,40);4*1H3,(H,2,3,4);/q+3;;;;;/p-3
【InChIKey】
InChIKey=BURILXLVBMPCDV-UHFFFAOYSA-K
【SMILES】
C[n+]1cccc\2c1/c3/[nH]/c2n\c-4n/c(n\c5c6c(ccc[n+]6C)c([nH]5)/nc/7\nc(\n3)-c8c7[n+](ccc8)C)/c9c4[n+](ccc9)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].[Cu]
【MOL File】
QUINOLINIC PHTHALOCY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
QUINOLINIC PHTHALOCYANINE.cml