| SpectraBase Spectrum ID |
KcYy7IeQUTk |
| Name |
21H,23H-Porphine-2,18-dipropanoic acid, 15-chloro-7,12-bis(2-chloroethyl)-3,8,13-trimethyl-, dimethyl ester |
| Alternate Name(s) |
.delta.-chloro-2,4-bis(2-chloroethyl)-6,7-bis[2-(methoxycarbonyl)ethyl]-1,3,5-trimethylporphyrin
methyl 3-[17-chloro-9,14-bis(2-chloroethyl)-20-(3-methoxy-3-oxopropyl)-5,10,15-trimethyl-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-4-yl]propanoate |
| CAS Registry Number |
121211-57-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H37Cl3N4O4 |
| InChI |
InChI=1S/C35H37Cl3N4O4/c1-18-22(7-9-33(44)46-5)29-17-27-21(6-8-32(43)45-4)14-31(41-27)34(38)35-20(3)24(11-13-37)30(42-35)16-26-19(2)23(10-12-36)28(39-26)15-25(18)40-29/h14-17,40,42H,6-13H2,1-5H3/b25-15-,26-16-,27-17-,28-15-,29-17-,30-16-,34-31+,35-34+ |
| InChIKey |
ZEQKURQTUJFCCI-VYRLBDIWSA-N |
| Molecular Weight |
684.064 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2Cl)cc4CCC(=O)OC)c(c3C)CCC(=O)OC)c(c1C)CCCl)CCCl)C |
| SPLASH |
splash10-001i-0000009000-259ab69491515b6a5292 |
| Source of Spectrum |
J-54-5573-23 |
| Wiley ID |
1414391 |
