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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13N2O5S.Na
Molecular Weight 416.382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Eriochrome Blue Black B

SMILES

[Na+].OC1=C(\N=N\C2=C(O)C3=C(C=CC=C3)C=C2)C4=CC=CC=C4C(=C1)S([O-])(=O)=O

InChI

InChIKey=HOWITLLZNKSJOJ-QUABFQRHSA-M
InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
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 C20H13N2O5S
Molecular Weight 393.393
Charge -1
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
A4JAD3Y6ZQ
Record Status Validated (UNII)
Record Version