Formula |
C28H24O2S |
IUPAC Name |
4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid |
Molecular Mass |
424.554 g·mol−1 |
Heat of Formation |
80.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.53 ± 1.08 D |
Volume |
516.79 Å 3 |
Surface Area |
451.64 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
1.98 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[2-[4-(4-ethylphenyl)-2,2-dimethyl-6-thiochromenyl]ethynyl]benzoic acid
- 4-[2-[4-(4-ethylphenyl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid
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InChIKey |
LHUPKWKWYWOMSK-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
S
C
O
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