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Details

Stereochemistry RACEMIC
Molecular Formula C16H24O4
Molecular Weight 280.3594
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYCLOHEXANEDIOL BIS-METHYLCROTONATE, TRANS-

SMILES

CC(C)=CC(=O)O[C@@H]1CCCC[C@H]1OC(=O)C=C(C)C

InChI

InChIKey=YFKRSBDMLCXVBY-ZIAGYGMSSA-N
InChI=1S/C16H24O4/c1-11(2)9-15(17)19-13-7-5-6-8-14(13)20-16(18)10-12(3)4/h9-10,13-14H,5-8H2,1-4H3/t13-,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H24O4
Molecular Weight 280.3594
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:55:39 GMT 2023
Edited
by admin
on Sat Dec 16 04:55:39 GMT 2023
Record UNII
220RE8J4EI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANEDIOL BIS-METHYLCROTONATE, TRANS-
Common Name English
2-BUTENOIC ACID, 3-METHYL-, 1,1'-(1R,2R)-1,2-CYCLOHEXANEDIYL ESTER, REL-
Common Name English
CYCLOHEXANEDIOL BIS-METHYLCROTONATE, TRANS-(±)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80142876
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
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FDA UNII
220RE8J4EI
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY
PUBCHEM
68542658
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY
CAS
1000284-35-4
Created by admin on Sat Dec 16 04:55:39 GMT 2023 , Edited by admin on Sat Dec 16 04:55:39 GMT 2023
PRIMARY