(Q82882450)

English

9-Ethyl-3-(hydroxymethyl)-1,7-dioxaspiro[5.5]undecan-4-ol

group of stereoisomers with the chemical formula C₁₂H₂₂O₄

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Statements

group of stereoisomers

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chemical compound

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230.151809184 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₂H₂₂O₄

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canonical SMILES

OCC1COC2(OCC(CC)CC2)CC1O

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isomeric SMILES

CC[C@@H]1CCC2(C[C@@H](O)[C@@H](CO)CO2)OC1

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Identifiers

InChI=1S/C12H22O4/c1-2-9-3-4-12(15-7-9)5-11(14)10(6-13)8-16-12/h9-11,13-14H,2-8H2,1H3/t9-,10+,11-,12?/m1/s1

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VDWRKBZMQNPUOB-FBTJUVTCSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID001341194

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