Tropoxane (Q7846271)

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

21 September 2016

chemical formula

C₁₅H₁₆Cl₂O₃

1 reference

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

21 September 2016

canonical SMILES

COC(=O)C1C2CCC(O2)CC1C3=CC(=C(C=C3)Cl)Cl

1 reference

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

21 September 2016

isomeric SMILES

COC(=O)[C@@H]1[C@H]2CC[C@H](O2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl

1 reference

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

InChI=1S/C15H16Cl2O3/c1-19-15(18)14-10(7-9-3-5-13(14)20-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14H,3,5,7H2,1H3/t9-,10+,13+,14-/m0/s1

21 September 2016

Identifiers

InChI

1 reference

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

DHXANQGCRAVCSQ-PJQZNRQZSA-N

21 September 2016

InChIKey

1 reference

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)

21 September 2016

1 reference

Methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2-carboxylate (English)

21 September 2016

2 references

(1R,2S,5S)-3beta-(3,4-Dichlorophenyl)-8-oxabicyclo[3.2.1]octane-2beta-carboxylic acid methyl ester (English)