| SpectraBase Spectrum ID |
2139cVj8XW8 |
| Name |
(E,E)-6-{3alpha-((3,5-Dinitrobenzoyl)oxy]-2-[(Z)-(ethoxycarbonyl)methylidene]-1beta-methylcyclopentyl}-3-methylhexa-2,5-dienyl 3,5-Dinitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H30N4O14 |
| InChI |
InChI=1S/C31H30N4O14/c1-4-47-28(36)18-26-27(49-30(38)21-14-24(34(43)44)17-25(15-21)35(45)46)7-10-31(26,3)9-5-6-19(2)8-11-48-29(37)20-12-22(32(39)40)16-23(13-20)33(41)42/h5,8-9,12-18,27H,4,6-7,10-11H2,1-3H3/b9-5+,19-8+,26-18-/t27-,31+/m0/s1 |
| InChIKey |
QPGKBENDTPOHHR-TWWHAHKASA-N |
| Literature Reference DOI |
10.1002/hlca.19910740308 |
| Molecular Weight |
682.595 g/mol |
| SMILES |
C(OC(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])=O)\C=C/(C)C\C=C\[C@]1(\C([C@](CC1)(OC(c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])=O)[H])=C/C(OCC)=O)C |
| SPLASH |
splash10-002e-6900000000-2dab2166d43dc3eb7ece |
| Source of Spectrum |
H-74-530-11 |
| Synonyms |
(2E,5E)-6-((1S,3S,E)-3-((3,5-dinitrobenzoyl)oxy)-2-(2-ethoxy-2-oxoethylidene)-1-methylcyclopentyl)-3-methylhexa-2,5-dien-1-yl 3,5-dinitrobenzoate |
| Wiley ID |
1789197 |
![(E,E)-6-{3alpha-((3,5-Dinitrobenzoyl)oxy]-2-[(Z)-(ethoxycarbonyl)methylidene]-1beta-methylcyclopentyl}-3-methylhexa-2,5-dienyl 3,5-Dinitrobenzoate](/api/spectrum/2139cVj8XW8/structure.png?h=300&w=458 "(E,E)-6-{3alpha-((3,5-Dinitrobenzoyl)oxy]-2-[(Z)-(ethoxycarbonyl)methylidene]-1beta-methylcyclopentyl}-3-methylhexa-2,5-dienyl 3,5-Dinitrobenzoate")
