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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21ClO3
Molecular Weight 356.843
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOCOUMAROL, (R)-

SMILES

CCC[C@H](C1=CC=C(CCCl)C=C1)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=XEBSDNCEYSPGIU-MRXNPFEDSA-N
InChI=1S/C21H21ClO3/c1-2-5-16(15-10-8-14(9-11-15)12-13-22)19-20(23)17-6-3-4-7-18(17)25-21(19)24/h3-4,6-11,16,23H,2,5,12-13H2,1H3/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H21ClO3
Molecular Weight 356.843
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:16:13 GMT 2023
Edited
by admin
on Fri Dec 15 17:16:13 GMT 2023
Record UNII
R0LVX4M7NO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOCOUMAROL, (R)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 3-(1-(4-(2-CHLOROETHYL)PHENYL)BUTYL)-4-HYDROXY, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
R0LVX4M7NO
Created by admin on Fri Dec 15 17:16:13 GMT 2023 , Edited by admin on Fri Dec 15 17:16:13 GMT 2023
PRIMARY
PUBCHEM
76966808
Created by admin on Fri Dec 15 17:16:13 GMT 2023 , Edited by admin on Fri Dec 15 17:16:13 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER