SpectraBase Spectrum ID |
44GsGD4L2 |
Name |
5,10,15,20-tetrakis[2',4'-bis(2",2"dimethylpropanoyloxy)phenyl]-21H,23H-porphine |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C84H94N4O16 |
InChI |
InChI=1S/C84H94N4O16/c1-77(2,3)69(89)97-45-25-29-49(61(41-45)101-73(93)81(13,14)15)65-53-33-35-55(85-53)66(50-30-26-46(98-70(90)78(4,5)6)42-62(50)102-74(94)82(16,17)18)57-37-39-59(87-57)68(52-32-28-48(100-72(92)80(10,11)12)44-64(52)104-76(96)84(22,23)24)60-40-38-58(88-60)67(56-36-34-54(65)86-56)51-31-27-47(99-71(91)79(7,8)9)43-63(51)103-75(95)83(19,20)21/h25-44,85,88H,1-24H3/b65-53-,65-54-,66-55-,66-57-,67-56-,67-58-,68-59-,68-60- |
InChIKey |
QZOXQXNETOREPA-KHOQMCAJSA-N |
Molecular Weight |
1415.688 g/mol |
SMILES |
[nH]1c2ccc1c(c1nc(c(c3ccc(c(c4nc(c2-c2c(OC(C(C)(C)C)=O)cc(OC(C(C)(C)C)=O)cc2)cc4)-c2c(OC(C(C)(C)C)=O)cc(OC(C(C)(C)C)=O)cc2)[nH]3)-c2c(OC(C(C)(C)C)=O)cc(OC(C(C)(C)C)=O)cc2)cc1)-c1c(OC(C(C)(C)C)=O)cc(OC(C(C)(C)C)=O)cc1 |
SPLASH |
splash10-02u0-0014900000-8a835b33d294b78a4662 |
Source of Spectrum |
H-77-1096-5 |
Synonyms |
3-[(2,2-dimethylpropanoyl)oxy]-4-[7,12,17-tris({2,4-bis[(2,2-dimethylpropanoyl)oxy]phenyl})-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl]phenyl 2,2-dimethylpropanoate |
Wiley ID |
1418816 |