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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8O8S2.2H2O
Molecular Weight 356.326
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHROMOTROPIC ACID DIHYDRATE

SMILES

O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=XGKPOHNAAOITPE-UHFFFAOYSA-N
InChI=1S/C10H8O8S2.2H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H8O8S2
Molecular Weight 320.296
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Patents

Substance Class Chemical
Record UNII
5FK3NDJ853
Record Status Validated (UNII)
Record Version