(Q83005701)

English

{5'-[(Oxan-2-yl)oxy]hexahydro-1'H-spiro[1,3-dioxolane-2,2'-pentalen]-4-yl}methanol

group of stereoisomers with the chemical formula C₁₆H₂₆O₅

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Statements

group of stereoisomers

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chemical compound

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298.178023932 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₅

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based on heuristic

inferred from SMILES

canonical SMILES

OCC1COC2(CC3CC(OC4CCCCO4)CC3C2)O1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

OCC1COC2(C[C@H]3CC(OC4CCCCO4)C[C@H]3C2)O1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C16H26O5/c17-9-14-10-19-16(21-14)7-11-5-13(6-12(11)8-16)20-15-3-1-2-4-18-15/h11-15,17H,1-10H2/t11-,12+,13?,14?,15?,16?

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PEKUEEVJHLWEGH-LHMJXJFVSA-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

DTXSID501009030

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DSSTOX compound identifier

DTXCID401435858

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