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Details

Stereochemistry ACHIRAL
Molecular Formula C36H22N7O10S3.3Na
Molecular Weight 877.765
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of TRISODIUM 5-((7-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-8-((4-(PHENYLAZO)-6-SULFO-1-NAPHTHALENYL)AZO)-2-NAPHTHALENESULFONATE

SMILES

[Na+].[Na+].[Na+].NC1=CC=C2C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=CC=CC=C5)C6=CC(=CC=C46)S([O-])(=O)=O)C7=CC(=CC=C37)S([O-])(=O)=O)=C(O)C2=C1)S([O-])(=O)=O

InChI

InChIKey=PIQVJYULRMZYIJ-AFZDYOOLSA-K
InChI=1S/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-30-12-14-32(39-38-22-4-2-1-3-5-22)28-18-23(54(45,46)47)8-10-25(28)30;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-38+,41-40+,43-42+;;;

HIDE SMILES / InChI

Molecular Formula C36H22N7O10S3
Molecular Weight 808.796
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
MOL RATIO 3 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
OY93I2E624
Record Status Validated (UNII)
Record Version