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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12O8
Molecular Weight 296.2296
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PHASELIC ACID

SMILES

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

InChI

InChIKey=PMKQSEYPLQIEAY-YWNRKNDBSA-N
InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)/b4-2+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H12O8
Molecular Weight 296.2296
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
JM4XGQ54UF
Record Status Validated (UNII)
Record Version