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Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12O6
Molecular Weight 180.1559
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOSACCHARINIC ACID

SMILES

OC[C@@H](O)C[C@](O)(CO)C(O)=O

InChI

InChIKey=SGOVJIDEXZEOTB-NJGYIYPDSA-N
InChI=1S/C6H12O6/c7-2-4(9)1-6(12,3-8)5(10)11/h4,7-9,12H,1-3H2,(H,10,11)/t4-,6-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12O6
Molecular Weight 180.1559
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
2Z6W76T3BN
Record Status Validated (UNII)
Record Version