(Q82927694)

English

1-[(2-Ethylhexyl)oxy]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)

group of stereoisomers with the chemical formula C₄₀H₆₄Cl₂N₂O₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

738.414143128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄Cl₂N₂O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCC(CC)COCC(O)CN1CCc2cc(OC)c(OC)cc2C1CC1CC2c3cc(OC)c(OC)cc3CCN2CC1CC.Cl.Cl

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC(CC)COCC(O)CN1CCc2cc(OC)c(OC)cc2[C@H]1C[C@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC.Cl.Cl

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H62N2O6.2ClH/c1-8-11-12-27(9-2)25-48-26-32(43)24-42-16-14-30-20-38(45-5)40(47-7)22-34(30)36(42)18-31-17-35-33-21-39(46-6)37(44-4)19-29(33)13-15-41(35)23-28(31)10-3;;/h19-22,27-28,31-32,35-36,43H,8-18,23-26H2,1-7H3;2*1H/t27?,28-,31+,32?,35-,36+;;/m0../s1

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InChIKey

UAUAKKFIVNLMEA-KWEURZOMSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID501377940

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(Q82927694)

1-[(2-Ethylhexyl)oxy]-3-(6',7',10,11-tetramethoxyemetan-2'-yl)propan-2-ol--hydrogen chloride (1/2)

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