2-(5-Hydroxy-3-Methyl-1-(2-Methyl-4-Sulfophenyl)-1H-Pyrazol-4-Ylazo)-4-Sulfobenzoic Acid

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Formula C18H16N4O9S2
IUPAC Name 2-[(e)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfo-phenyl)pyrazol-1-ium-2-id-4-yl]azo]-4-sulfo-benzoic acid
Molecular Mass 496.471 g·mol−1
Heat of Formation -1080.4 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 493.01 Å 3
Surface Area 438.91 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
InChIKey NOQURKNIKJDEPW-FMQUCBEESA-N
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