3-[(E)-{4-Formyl-5-Hydroxy-6-Methyl-3-[(Phosphonooxy)Methyl]-2-Pyridinyl}Diazenyl]-7-Nitro-1,5-Naphthalenedisulfonic Acid

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Properties Simple | Detailed

Formula C18H20N4O14PS2
IUPAC Name [4-formyl-5-hydroxy-6-methyl-2-[(e)-(6-nitro-4,8-disulfo-2-naphthyl)azo]pyridin-1-ium-3-id-3-yl]methyl dihydrogen phosphate
Molecular Mass 611.474 g·mol−1
Heat of Formation -1942.1 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 559.98 Å 3
Surface Area 465.86 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -2.45 ± eV
Point Group Symmetry C1
InChIKey CMVLDSZYDWJTCG-QZQOTICOSA-N
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