(Q82761439)

English

3-[(1S)-4-(But-3-en-1-yl)-1-methylcyclohex-2-en-1-yl]propanal

group of stereoisomers with the chemical formula C₁₄H₂₂O

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Statements

group of stereoisomers

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chemical compound

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206.167065324 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₂O

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based on heuristic

inferred from SMILES

canonical SMILES

C=CCCC1C=CC(C)(CCC=O)CC1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C=CCCC1C=C[C@](C)(CCC=O)CC1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C14H22O/c1-3-4-6-13-7-10-14(2,11-8-13)9-5-12-15/h3,7,10,12-13H,1,4-6,8-9,11H2,2H3/t13?,14-/m0/s1

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UGQFGEXTKNTTTR-KZUDCZAMSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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