| Formula |
C34H34N2O9 |
| IUPAC Name |
2-[[2-[2-butyl-4-[(e)-2-carboxy-3-(6-methoxy-1,3-benzodioxol-5-yl)prop-1-enyl]pyrazol-3-yl]-5-methoxy-phenoxy]methyl]benzoic acid |
| Molecular Mass |
614.642 g·mol−1 |
| Heat of Formation |
-1112.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.13 ± 1.08 D |
| Volume |
718.39 Å 3 |
| Surface Area |
506.29 Å 2 |
| HOMO Energy |
-8.37 ± 0.55 eV |
| LUMO Energy |
-0.82 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[2-[2-butyl-4-[(e)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxo-prop-1-enyl]pyrazol-3-yl]-5-methoxy-phenoxy]methyl]benzoic acid
- 2-[[2-[2-butyl-4-[(e)-3-hydroxy-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-oxoprop-1-enyl]-3-pyrazolyl]-5-methoxyphenoxy]methyl]benzoic acid
- 2-[[2-[2-butyl-4-[(e)-3-hydroxy-3-keto-2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]prop-1-enyl]pyrazol-3-yl]-5-methoxy-phenoxy]methyl]benzoic acid
- sb234551
|
| InChIKey |
MCHCGWZNXSZKJY-OEAKJJBVSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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