(Q105205636)

English

[(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate

chemical compound

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type of chemical entity

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subclass of

[3-(Chloromethylidene)-1-benzoxepin-7-yl]methyl octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from InChIKey

mass

484.274422852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₁ClO₃

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canonical SMILES

O=C(OCC=1C=CC=2OCC(=CCl)C=CC2C1)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCc1ccc2c(c1)C=C/C(=C\Cl)CO2

1 reference

1 reference

Benzoxepine Esters as Precursors of the Wound-Activated Chemical Defence ofMycena galopus

Identifiers

InChI

InChI=1S/C30H41ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(32)34-24-26-19-21-29-28(22-26)20-18-27(23-31)25-33-29/h6-7,9-10,18-23H,2-5,8,11-17,24-25H2,1H3/b7-6-,10-9-,27-23+

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InChIKey

PCDRGZFHHNYOHS-YFCJTQQVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PCDRGZFHHNYOHS-YFCJTQQVSA-N

1 reference

(Q105205636)

[(3E)-3-(chloromethylidene)-1-benzoxepin-7-yl]methyl (9Z,12Z)-octadeca-9,12-dienoate

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