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Details

Stereochemistry ACHIRAL
Molecular Formula C18H12O9PS3.3Na
Molecular Weight 568.421
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TPPTS

SMILES

[Na+].[Na+].[Na+].[O-]S(=O)(=O)C1=CC=CC(=C1)P(C2=CC(=CC=C2)S([O-])(=O)=O)C3=CC(=CC=C3)S([O-])(=O)=O

InChI

InChIKey=MYAJTCUQMQREFZ-UHFFFAOYSA-K
InChI=1S/C18H15O9PS3.3Na/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H12O9PS3
Molecular Weight 499.451
Charge -3
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

Substance Class Chemical
Record UNII
WUE9W42Q27
Record Status Validated (UNII)
Record Version