Dimethyl 3,3'-(6-Methoxy-6-Oxo-1-Hexene-1,1-Diyl)Bis(5-Chloro-6-Methoxybenzoate)

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Properties Simple | Detailed

Formula C25H26Cl2O8
IUPAC Name methyl 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonyl-phenyl)-6-methoxy-6-oxo-hex-1-enyl]-2-methoxy-benzoate
Molecular Mass 525.375 g·mol−1
Heat of Formation -1278.3 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 594.71 Å 3
Surface Area 467.65 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1,1-(3',3"-dicarbomethoxy-5',5"-dichloro-4',4"-dimethoxydiphenyl)-5-hexenoate
  • 3-chloro-5-[1-(3-chloro-4-methoxy-5-methoxycarbonylphenyl)-6-methoxy-6-oxohex-1-enyl]-2-methoxybenzoic acid methyl ester
  • 5-[1-(3-carbomethoxy-5-chloro-4-methoxy-phenyl)-6-keto-6-methoxy-hex-1-enyl]-3-chloro-2-methoxy-benzoic acid methyl ester
  • adam ii
  • alkenyldiarylmethanes (adam) 22
  • benzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexenylidene)bis(5-chloro-6-methoxy-, dimethyl ester
  • benzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexenylidene)bis[5-chloro-6-methoxy-, dimethyl ester
  • methyl 3',3''-dichloro-4',4''-dimethoxy-5',5''-bis(methoxycarbonyl)-6,6-diphenylhexenoate
CAS Number(s)
  • 204864-54-0
InChIKey LSBDJGANJWONSP-UHFFFAOYSA-N
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