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Details

Stereochemistry RACEMIC
Molecular Formula C9H14O2
Molecular Weight 154.2063
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTAHYDROCOUMARIN, TRANS-(±)-

SMILES

O=C1CC[C@@H]2CCCC[C@H]2O1

InChI

InChIKey=MSFLYJIWLHSQLG-JGVFFNPUSA-N
InChI=1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2/t7-,8+/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
OCTAHYDROCOUMARIN, TRANS-(±)-
Systematic Name English
FEMA NO. 3791, TRANS-(±)-
Preferred Name English
TRANS-OCTAHYDROCOUMARIN
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, OCTAHYDRO-, (4AR,8AS)-REL-
Common Name English
2H-1-BENZOPYRAN-2-ONE, OCTAHYDRO-, TRANS-
Systematic Name English
COUMARIN, OCTAHYDRO-, TRANS-
Systematic Name English
Code System Code Type Description
FDA UNII
8XS045PP1L
Created by admin on Mon Mar 31 20:19:40 GMT 2025 , Edited by admin on Mon Mar 31 20:19:40 GMT 2025
PRIMARY
CAS
14072-79-8
Created by admin on Mon Mar 31 20:19:40 GMT 2025 , Edited by admin on Mon Mar 31 20:19:40 GMT 2025
PRIMARY
NIH
NCATS
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