(Q82880047)

English

4-[(Penta-1,3-diyn-1-yl)oxy]spiro[6-oxabicyclo[3.1.0]hex-3-ene-2,2'-oxan]-5'-yl 3-methylbutanoate

group of stereoisomers with the chemical formula C₁₉H₂₂O₅

In more languages

Statements

group of stereoisomers

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chemical compound

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330.146723804 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CC#CC#COC1=CC2(CCC(OC(=O)CC(C)C)CO2)C2OC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC#CC#COC1=C[C@]2(CCC(OC(=O)CC(C)C)CO2)[C@@H]2O[C@H]12

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C19H22O5/c1-4-5-6-9-21-15-11-19(18-17(15)24-18)8-7-14(12-22-19)23-16(20)10-13(2)3/h11,13-14,17-18H,7-8,10,12H2,1-3H3/t14?,17-,18-,19-/m1/s1

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RYAXKMRZPSXCFZ-LEWXTWDNSA-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

DTXCID401339325

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