(Q82258010)

English

Sch 58053 Benzyl Ether

group of stereoisomers with the chemical formula C₃₃H₂₉ClFNO₃

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

541.181999688 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₂₉ClFNO₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C1N(c2ccc(F)cc2)C(c2ccc(OCc3ccccc3)cc2)C12CCC(O)(c1ccc(Cl)cc1)CC2

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C1N(c2ccc(F)cc2)[C@H](c2ccc(OCc3ccccc3)cc2)C12CCC(O)(c1ccc(Cl)cc1)CC2

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C33H29ClFNO3/c34-26-10-8-25(9-11-26)33(38)20-18-32(19-21-33)30(36(31(32)37)28-14-12-27(35)13-15-28)24-6-16-29(17-7-24)39-22-23-4-2-1-3-5-23/h1-17,30,38H,18-22H2/t30-,32?,33?/m1/s1

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InChIKey

FPSNEPSQCDBZPG-WUKUHOFLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID80392112

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(Q82258010)

Sch 58053 Benzyl Ether

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