(Q82882186)

English

7-Methoxy-2,2-dimethyl-4-{4-[(oxiran-2-yl)methoxy]phenyl}-3-phenyl-3,4-dihydro-2H-1-benzopyran

group of stereoisomers with the chemical formula C₂₇H₂₈O₄

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Statements

group of stereoisomers

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chemical compound

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416.19875937599994 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₄

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based on heuristic

inferred from SMILES

canonical SMILES

COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)C2c1ccc(OCC2CO2)cc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COc1ccc2c(c1)OC(C)(C)[C@H](c1ccccc1)[C@H]2c1ccc(OCC2CO2)cc1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C27H28O4/c1-27(2)26(19-7-5-4-6-8-19)25(23-14-13-21(28-3)15-24(23)31-27)18-9-11-20(12-10-18)29-16-22-17-30-22/h4-15,22,25-26H,16-17H2,1-3H3/t22?,25-,26+/m0/s1

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IISXXZMZLSKUTJ-QMXUZLBISA-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

DTXCID801340990

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