(2S)-3-{4-[2-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)propan-2-yl]-2-methylphenoxy}propane-1,2-diol (Q27465621)

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

19 October 2016

chemical formula

C₂₆H₃₈O₅

1 reference

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

19 October 2016

canonical SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C)OCC(CO)O

1 reference

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

19 October 2016

isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OC[C@@H](C(C)(C)C)O)C)OC[C@H](CO)O

1 reference

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

InChI=1S/C26H38O5/c1-17-12-19(8-10-22(17)30-15-21(28)14-27)26(6,7)20-9-11-23(18(2)13-20)31-16-24(29)25(3,4)5/h8-13,21,24,27-29H,14-16H2,1-7H3/t21-,24-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

QOQDEYISGNGHKZ-URXFXBBRSA-N

19 October 2016

InChIKey

1 reference

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

19 October 2016

1 reference

(2S)-3-[4-(2-{4-[(2R)-2-Hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}-2-propanyl)-2-methylphenoxy]-1,2-propanediol (English)

19 October 2016

2 references

(2s)-3-{4-[2-(4-{[(2r)-2-Hydroxy-3,3-Dimethylbutyl]oxy}-3-Methylphenyl)propan-2-Yl]-2-Methylphenoxy}propane-1,2-Diol (English)

matched by identifier from

19 October 2016

InChIKey

QOQDEYISGNGHKZ-URXFXBBRSA-N

1 reference

0 references

1 reference

3W0J (English)