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Details

Stereochemistry ACHIRAL
Molecular Formula C37H37N2O6S2
Molecular Weight 669.829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of ACID BLUE 7 FREE ACID

SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC=C4)C5=CC=C(C=C5S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=VUXVWHOCQSLYRN-UHFFFAOYSA-O
InChI=1S/C37H36N2O6S2/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)/p+1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACID BLUE 7 FREE ACID
Common Name English
BENZENEMETHANAMINIUM, N-(4-((2,4-DISULFOPHENYL)(4-(ETHYL(PHENYLMETHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
62499
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID501100870
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
PRIMARY
CAS
1039452-58-8
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
PRIMARY
FDA UNII
9B04W34BBD
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
PRIMARY
CAS
1264834-14-1
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
ALTERNATIVE
CAS
21563-97-3
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
ALTERNATIVE
ECHA (EC/EINECS)
244-444-5
Created by admin on Sat Dec 16 12:09:12 GMT 2023 , Edited by admin on Sat Dec 16 12:09:12 GMT 2023
PRIMARY