Strobilurin B

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Properties Simple | Detailed

Formula C17H19ClO4
IUPAC Name methyl (2e,3z,5e)-6-(4-chloro-3-methoxy-phenyl)-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
Molecular Mass 322.783 g·mol−1
Heat of Formation -499.9 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 387.14 Å 3
Surface Area 341.04 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,3z,5e)-6-(4-chloro-3-methoxy-phenyl)-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoic acid methyl ester
  • (2e,3z,5e)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid methyl ester
  • methyl (2e,3z,5e)-6-(4-chloro-3-methoxy-phenyl)-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
  • methyl (2e,3z,5e)-6-(4-chloro-3-methoxy-phenyl)-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
CAS Number(s)
  • 65105-52-4
InChIKey ZDIQYKMDNQULMX-PJUQCDRASA-N
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Elements H C O Cl