Formula |
C37H24ClN3O8 |
IUPAC Name |
5-[[4-[(3z)-3-(3-chloro-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-4-yl]phenyl]methylcarbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid |
Molecular Mass |
674.055 g·mol−1 |
Heat of Formation |
3724.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.26 ± 1.08 D |
Volume |
662.63 Å 3 |
Surface Area |
569.15 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
-3.49 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[[4-[(3z)-3-(3-chloro-4-hydroxy-6-keto-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]benzyl]carbamoyl]-2-(3-hydroxy-6-keto-xanthen-9-yl)benzoic acid
- 5-[[4-[(3z)-3-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]phenyl]methylcarbamoyl]-2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid
- 5-[[[4-[(3z)-3-(3-chloro-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-4-yl]phenyl]methylamino]-oxomethyl]-2-(3-hydroxy-6-oxo-9-xanthenyl)benzoic acid
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InChIKey |
HCCLRNWSTAJSLV-LSWMGQQCSA-N |
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Links |
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Elements |
C
N
O
Cl
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