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Details

Stereochemistry ACHIRAL
Molecular Formula C31H33N3O6S2
Molecular Weight 607.74
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 34 FREE ACID

SMILES

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=DCTXQQVUQIODBO-UHFFFAOYSA-N
InChI=1S/C31H33N3O6S2/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)

HIDE SMILES / InChI

Molecular Formula C31H33N3O6S2
Molecular Weight 607.74
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:43:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:54 GMT 2023
Record UNII
7FR8E3WZB8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 34 FREE ACID
Common Name English
METHANAMINIUM, N-(4-((4-(DIMETHYLAMINO)-3-SULFOPHENYL)(4-(METHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-METHYL-, INNER SALT
Systematic Name English
Code System Code Type Description
FDA UNII
7FR8E3WZB8
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
PRIMARY
PUBCHEM
5207845
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
PRIMARY
CAS
25305-83-3
Created by admin on Sat Dec 16 12:43:54 GMT 2023 , Edited by admin on Sat Dec 16 12:43:54 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT