U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C32H25N3O9S3.2Na
Molecular Weight 737.73
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 22

SMILES

[Na+].[Na+].CC1=C(N)C(=CC(=C1)C(C2=CC=C(NC3=CC=C(C=C3)S([O-])(=O)=O)C=C2)=C4C=CC(C=C4)=[NH+]C5=CC=C(C=C5)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=XOSXWYQMOYSSKB-AETMCFOMSA-L
InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b31-22-,35-25-;;

HIDE SMILES / InChI

Approval Year

Name Type Language
ACID BLUE 22
Common Name English
BENZENESULFONIC ACID, AMINOMETHYL((4-((SULFOPHENYL)AMINO)PHENYL)(4-((SULFOPHENYL)IMINO)-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, SODIUM SALT (1:2)
Systematic Name English
BENZENESULFONIC ACID, AMINOMETHYL((4-((SULFOPHENYL)AMINO)PHENYL)(4-((SULFOPHENYL)IMINO)-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-, DISODIUM SALT
Common Name English
NSC-13988
Code English
CI ACID BLUE 22
Common Name English
C.I. ACID BLUE 22
Common Name English
WATER SKY BLUE
Common Name English
COTTON BLUE
Common Name English
Code System Code Type Description
CAS
28631-66-5
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
NSC
13988
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
FDA UNII
44D829LK4D
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
WIKIPEDIA
Water blue
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-113-9
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
CHEBI
85681
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY
CHEBI
87472
Created by admin on Fri Dec 15 17:34:06 GMT 2023 , Edited by admin on Fri Dec 15 17:34:06 GMT 2023
PRIMARY