| SpectraBase Spectrum ID |
LjakrVngrqF |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(2-chloroethyl)-17-(difluoromethyl)-3,8,13-trimethyl-, dimethyl ester |
| CAS Registry Number |
121211-60-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H38Cl2F2N4O4 |
| InChI |
InChI=1S/C36H38Cl2F2N4O4/c1-18-21(6-8-33(45)47-4)30-17-31-24(7-9-34(46)48-5)35(36(39)40)32(44-31)16-27-20(3)23(11-13-38)29(43-27)15-26-19(2)22(10-12-37)28(41-26)14-25(18)42-30/h14-17,36,42-43H,6-13H2,1-5H3/b25-14-,26-15-,27-16-,28-14-,29-15-,30-17-,31-17-,32-16- |
| InChIKey |
ROGXWOBMKWSDRD-WDKYUCIMSA-N |
| Molecular Weight |
699.627 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4c(c(c(c2)n4)CCC(=O)OC)C(F)F)c(c3CCCl)C)c(c1CCCl)C)C)CCC(=O)OC |
| SPLASH |
splash10-0f6t-0000009600-14eb8edf3ec3f31949f1 |
| Source of Spectrum |
J-54-3280-59 |
| Synonyms |
2,4-bis(2-chloroethyl)-8-(difluoromethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethylporphyrin
Methyl 3-[10,15-bis(2-chloroethyl)-5-(difluoromethyl)-20-(3-methoxy-3-oxopropyl)-9,14,19-trimethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate |
| Wiley ID |
1414989 |
