U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C31H32N3O6S2.Na
Molecular Weight 629.722
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 34

SMILES

[Na+].CN(C)C1=CC=C(C=C1S([O-])(=O)=O)C(C2=CC=C(C=C2)N(C)CC3=CC=CC(=C3)S([O-])(=O)=O)=C4C=CC(C=C4)=[N+](C)C

InChI

InChIKey=FLOMHNPVJPAASA-UHFFFAOYSA-M
InChI=1S/C31H33N3O6S2.Na/c1-32(2)26-14-9-23(10-15-26)31(25-13-18-29(33(3)4)30(20-25)42(38,39)40)24-11-16-27(17-12-24)34(5)21-22-7-6-8-28(19-22)41(35,36)37;/h6-20H,21H2,1-5H3,(H-,35,36,37,38,39,40);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula C31H32N3O6S2
Molecular Weight 606.732
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 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

Approval Year

Substance Class Chemical
Record UNII
Z36HN14S9I
Record Status Validated (UNII)
Record Version