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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13N2O4S.Na
Molecular Weight 400.383
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACID RED 88

SMILES

[Na+].OC1=CC=C2C=CC=CC2=C1\N=N\C3=CC=C(C4=CC=CC=C34)S([O-])(=O)=O

InChI

InChIKey=LGZQSRCLLIPAEE-QUABFQRHSA-M
InChI=1S/C20H14N2O4S.Na/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17;/h1-12,23H,(H,24,25,26);/q;+1/p-1/b22-21+;

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
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 C20H13N2O4S
Molecular Weight 377.393
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
7Z2135Z4K4
Record Status Validated (UNII)
Record Version