(1R,4S,5R)-1,4,5-Trihydroxy-3-[(5-Methyl-1-Benzothiophen-2-Yl)Methoxy]-2-Cyclohexene-1-Carboxylic Acid

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Formula C17H18O6S
IUPAC Name (1r,4s,5r)-1,4,5-trihydroxy-3-[(5-methylbenzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
Molecular Mass 350.386 g·mol−1
Heat of Formation -933.5 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 391.13 Å 3
Surface Area 352.59 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey BNUWPGVZRDEWEX-ISTRZQFTSA-N
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