(Q105138797)

English

[(2S)-2-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-Chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

330.0481284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₈H₁₅ClO₂S

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canonical SMILES

O=C(OCC(Cl)C#CC=1SC(C#CC#CC)=CC1)C(=CC)C

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isomeric SMILES

CC#CC#Cc1ccc(C#C[C@H](Cl)COC(=O)/C(C)=C\C)s1

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found in taxon

Pluchea dioscoridis

1 reference

stated in

New .ALPHA.-cyclocostunolide and isocostic acid derivatives from Pluchea dioscoridis.

Identifiers

InChI

InChI=1S/C18H15ClO2S/c1-4-6-7-8-16-11-12-17(22-16)10-9-15(19)13-21-18(20)14(3)5-2/h5,11-12,15H,13H2,1-3H3/b14-5-/t15-/m0/s1

0 references

InChIKey

KCKLGAFEWGJTHI-AGKVCYSUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCKLGAFEWGJTHI-AGKVCYSUSA-N

(Q105138797)

[(2S)-2-chloro-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] (Z)-2-methylbut-2-enoate

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