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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10N2O7S2.2Na
Molecular Weight 452.369
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ORANGE G

SMILES

[Na+].[Na+].OC1=CC=C2C=C(C=C(C2=C1\N=N\C3=CC=CC=C3)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=HSXUHWZMNJHFRV-QIKYXUGXSA-L
InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-17+;;

HIDE SMILES / InChI

Molecular Formula C16H10N2O7S2
Molecular Weight 406.39
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

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

Approval Year

Substance Class Chemical
Record UNII
1Q6EJU80RN
Record Status Validated (UNII)
Record Version