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Details

Stereochemistry RACEMIC
Molecular Formula C13H18O4
Molecular Weight 238.2796
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 5-(3,4-DIHYDROXYPHENYL)-2,2-DIMETHYL-4-PENTENE-1,3-DIOL

SMILES

CC(C)(CO)C(O)\C=C\C1=CC(O)=C(O)C=C1

InChI

InChIKey=UVPAQWUWBVMAPV-GQCTYLIASA-N
InChI=1S/C13H18O4/c1-13(2,8-14)12(17)6-4-9-3-5-10(15)11(16)7-9/h3-7,12,14-17H,8H2,1-2H3/b6-4+

HIDE SMILES / InChI

Molecular Formula C13H18O4
Molecular Weight 238.2796
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
Y9XZM69ZDG
Record Status Validated (UNII)
Record Version