2-{(3E)-6-[(2-Methylphenyl)Amino]-3-[(2-Methyl-4-Sulfophenyl)Imino]-3H-Xanthen-9-Yl}Benzoic Acid

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Formula C34H26N2O6S
IUPAC Name 2-[(6e)-3-(2-methylanilino)-6-(2-methyl-4-sulfo-cyclohexa-2,5-dien-1-yl)imino-xanthene-3,9a-diid-9-yl]benzoic acid
Molecular Mass 590.645 g·mol−1
Heat of Formation 4779.4 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 599.75 Å 3
Surface Area 516.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -2.61 ± eV
Point Group Symmetry C1
InChIKey XRRSHJUXSQSJHZ-GOJREDGKSA-N
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