[(3E,4R)-3-(4-{(E)-[(1S)-7,7-Dimethyl-3-Oxo-4-(Sulfomethyl)Bicyclo[2.2.1]Hept-2-Ylidene]Methyl}Benzylidene)-7,7-Dimethyl-2-Oxobicyclo[2.2.1]Hept-1-Yl]Methanesulfonic Acid

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Properties Simple | Detailed

Formula C28H34O8S2
IUPAC Name [(1s,3e,4s)-3-[[4-[(e)-[(1r,4r)-7,7-dimethyl-3-oxo-4-(sulfomethyl)norbornan-2-ylidene]methyl]phenyl]methylene]-7,7-dimethyl-2-oxo-norbornan-1-yl]methanesulfonic acid
Molecular Mass 562.695 g·mol−1
Heat of Formation -1256.8 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 641.34 Å 3
Surface Area 496.4 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
InChIKey HEAHZSUCFKFERC-BHNYVLCDSA-N
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