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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12N2O7S2.2Na
Molecular Weight 502.428
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CARMOISINE

SMILES

[Na+].[Na+].OC1=C2C=CC=CC2=C(C=C1\N=N\C3=C4C=CC=CC4=C(C=C3)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=YSVBPNGJESBVRM-ZPZFBZIMSA-L
InChI=1S/C20H14N2O7S2.2Na/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b22-21+;;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 C20H12N2O7S2
Molecular Weight 456.448
Charge -2
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
DR4641L47F
Record Status Validated (UNII)
Record Version