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Details

Stereochemistry ACHIRAL
Molecular Formula C20H12N4O10S2.2Na
Molecular Weight 578.44
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-3-HYDROXY-7-NITRO-1-NAPHTHALENESULFONATE

SMILES

[Na+].[Na+].NC1=CC2=C(C=C1)C(O)=C(\N=N\C3=C(O)C=C(C4=CC(=CC=C34)[N+]([O-])=O)S([O-])(=O)=O)C(=C2)S([O-])(=O)=O

InChI

InChIKey=AHVMGNOEXVJLBW-VPMNAVQSSA-L
InChI=1S/C20H14N4O10S2.2Na/c21-10-1-3-12-9(5-10)6-17(36(32,33)34)19(20(12)26)23-22-18-13-4-2-11(24(27)28)7-14(13)16(8-15(18)25)35(29,30)31;;/h1-8,25-26H,21H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b23-22+;;

HIDE SMILES / InChI

Molecular Formula C20H12N4O10S2
Molecular Weight 532.46
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 22.98976928
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
UQF59X9H11
Record Status Validated (UNII)
Record Version