U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O4
Molecular Weight 272.2958
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

COC1=CC=C(C=C1)[C@@H](O)C(=O)C2=CC=C(OC)C=C2

InChI

InChIKey=LRRQSCPPOIUNGX-OAHLLOKOSA-N
InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O4
Molecular Weight 272.2958
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
T65B2M7DSF
Record Status Validated (UNII)
Record Version