| Formula |
C18H16N4O9S2 |
| IUPAC Name |
2-[(2e)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid |
| Molecular Mass |
496.471 g·mol−1 |
| Heat of Formation |
-1106.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.44 ± 1.08 D |
| Volume |
498.89 Å 3 |
| Surface Area |
441.98 Å 2 |
| HOMO Energy |
-9.09 ± 0.55 eV |
| LUMO Energy |
0.87 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(2e)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid
- 2-[(2z)-2-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazinyl]-4-sulfo-benzoic acid
- 2-[(2z)-2-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]-4-sulfobenzoic acid
- 2-[(n'e)-n'-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
- 2-[(n'e)-n'-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazino]-4-sulfobenzoic acid
- 2-[(n'e)-n'-[5-keto-3-methyl-1-(2-methyl-4-sulfo-phenyl)pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
- 2-[(n'z)-n'-[3-methyl-1-(2-methyl-4-sulfo-phenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
- 2-[(n'z)-n'-[3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-4-pyrazolylidene]hydrazino]-4-sulfobenzoic acid
- 2-[(n'z)-n'-[5-keto-3-methyl-1-(2-methyl-4-sulfo-phenyl)pyrazol-4-ylidene]hydrazino]-4-sulfo-benzoic acid
- 2-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfo-phenyl)-1h-pyrazol-4-ylazo]-4-sulfo-benzoic acid
- 2-{(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1h-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid
|
| InChIKey |
ZZFBHJRYYQSCRS-SILNSSARSA-N |
| QR Code |
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| Links |
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
S
C
O
N
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