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

Stereochemistry ABSOLUTE
Molecular Formula C15H20O4
Molecular Weight 264.3169
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TANACETIN

SMILES

C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@@]1(O)C(=C)CC[C@H]2O

InChI

InChIKey=CFUWPZZLCJXNSQ-XXUMUBMXSA-N
InChI=1S/C15H20O4/c1-8-4-5-11(16)14(3)7-6-10-9(2)13(17)19-12(10)15(8,14)18/h10-12,16,18H,1-2,4-7H2,3H3/t10-,11+,12-,14-,15-/m0/s1

HIDE SMILES / InChI

Approval Year