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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H12O5
Molecular Weight 272.2528
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTIN

SMILES

OC1=CC=C2C(=O)C[C@H](OC2=C1)C3=CC(O)=C(O)C=C3

InChI

InChIKey=MJBPUQUGJNAPAZ-AWEZNQCLSA-N
InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H12O5
Molecular Weight 272.2528
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
S23T8BI9DD
Record Status Validated (UNII)
Record Version