U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H16O4
Molecular Weight 200.2316
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIMETHYL 1,4-CYCLOHEXANEDICARBOXYLATE, CIS-

SMILES

COC(=O)[C@H]1CC[C@H](CC1)C(=O)OC

InChI

InChIKey=LNGAGQAGYITKCW-OCAPTIKFSA-N
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+

HIDE SMILES / InChI

Molecular Formula C10H16O4
Molecular Weight 200.2316
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
35IVG3419I
Record Status Validated (UNII)
Record Version