N,N-DIMETHYL-N-OCTADECYL-1-OCTADECANAMINIUM-(SP-4-2)-[29H,31H-PHTHALOCYANINE-2-SULFONATO-N29,N30,N31,N32]CUPRATE

CAS No.
70750-63-9
CCD No.
CCD02009979
Formula
C38 H80 N . C32 H15 Cu N8 O3 S
MolWeight
1206.19

Basic Information

Product Name: N,N-DIMETHYL-N-OCTADECYL-1-OCTADECANAMINIUM-(SP-4-2)-[29H,31H-PHTHALOCYANINE-2-SULFONATO-N29,N30,N31,N32]CUPRATE
CAS: 70750-63-9
English Synonyms: N,N-DIMETHYL-N-OCTADECYL-1-OCTADECANAMINIUM-(SP-4-2)-[29H,31H-PHTHALOCYANINE-2-SULFONATO-N29,N30,N31,N32]CUPRATE
MDL Number.: MFCD13194849
H bond acceptor: 11
H bond donor: 0
Smile: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.c1ccc2c(c1)c3/nc/4\nc(/nc\5/c6ccc(cc6/c7/n5[Cu]n3c2/nc/8\nc(\n7)-c9c8cccc9)S(=O)(=O)[O-])-c1c4cccc1
InChi: InChI=1S/C38H80N.C32H16N8O3S.Cu/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32;/h5-38H2,1-4H3;1-15H,(H-2,33,34,35,36,37,38,39,40,41,42,43);/q+1;-2;+2/p-1
InChiKey: InChIKey=IPHJYJHJDIGARM-UHFFFAOYSA-M

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