(Q82078691)

English

NSC367959

group of stereoisomers with the chemical formula C₁₃H₁₆N₂O₅

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Statements

group of stereoisomers

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chemical compound

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280.105921612 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₆N₂O₅

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based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)N1CC2C(O)C(O)C1ON2c1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)N1CC2[C@H](O)[C@H](O)C1ON2c1ccccc1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C13H16N2O5/c1-19-13(18)14-7-9-10(16)11(17)12(14)20-15(9)8-5-3-2-4-6-8/h2-6,9-12,16-17H,7H2,1H3/t9?,10-,11-,12?/m0/s1

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ZMKVMCDIHBSLEY-YECOWLKZSA-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

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