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Details

Stereochemistry RACEMIC
Molecular Formula C16H16O4
Molecular Weight 272.2958
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELEUTHERIN, (±)-

SMILES

COC1=CC=CC2=C1C(=O)C3=C(C[C@H](C)O[C@@H]3C)C2=O

InChI

InChIKey=IAJIIJBMBCZPSW-DTWKUNHWSA-N
InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/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 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7FTP57M80A
Record Status Validated (UNII)
Record Version