| SpectraBase Spectrum ID |
19FFQICxzNU |
| Name |
21H,23H-Porphine-2,18-dipropanol-7,12-diethenyl-3,8,13,17-tetramethyl-dimethaneesulfonate |
| Alternate Name(s) |
3-[5,9,14,19-tetramethyl-20-{3-[(methylsulfonyl)oxy]propyl}-10,15-divinyl-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]propyl methanesulfonate |
| CAS Registry Number |
76915-45-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H42N4O6S2 |
| InChI |
InChI=1S/C36H42N4O6S2/c1-9-25-21(3)29-17-30-23(5)27(13-11-15-45-47(7,41)42)35(39-30)20-36-28(14-12-16-46-48(8,43)44)24(6)32(40-36)19-34-26(10-2)22(4)31(38-34)18-33(25)37-29/h9-10,17-20,37,40H,1-2,11-16H2,3-8H3/b29-17-,30-17-,31-18-,32-19-,33-18-,34-19-,35-20-,36-20- |
| InChIKey |
VTQLOHUFBRXFMO-LHPWBCDESA-N |
| Molecular Weight |
690.874 g/mol |
| SMILES |
[nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C=C)C)c(c3CCCOS(=O)(=O)C)C)c(c1C)CCCOS(=O)(=O)C)C)C=C |
| SPLASH |
splash10-0002-0030900000-22629aca0505e0b54c93 |
| Source of Spectrum |
J-46-2192-0 |
| Wiley ID |
1414666 |
