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Details

Stereochemistry ACHIRAL
Molecular Formula C32H30N2O8S2
Molecular Weight 634.719
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 80 FREE ACID

SMILES

CC1=CC(C)=C(C(C)=C1NC2=CC=C(NC3=C(C)C(=C(C)C=C3C)S(O)(=O)=O)C4=C2C(=O)C5=CC=CC=C5C4=O)S(O)(=O)=O

InChI

InChIKey=ZATHVTMEPLUQKK-UHFFFAOYSA-N
InChI=1S/C32H30N2O8S2/c1-15-13-17(3)31(43(37,38)39)19(5)27(15)33-23-11-12-24(26-25(23)29(35)21-9-7-8-10-22(21)30(26)36)34-28-16(2)14-18(4)32(20(28)6)44(40,41)42/h7-14,33-34H,1-6H3,(H,37,38,39)(H,40,41,42)

HIDE SMILES / InChI

Molecular Formula C32H30N2O8S2
Molecular Weight 634.719
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:02:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:02:33 GMT 2023
Record UNII
3C2U6FZ555
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 80 FREE ACID
Common Name English
ALIZARINE BLUE BL
Common Name English
3,3'-((9,10-DIOXO-9,10-DIHYDROANTHRACENE-1,4-DIYL)DIIMINO)BIS(2,4,6-TRIMETHYLBENZENESULFONIC ACID)
Systematic Name English
3-((9,10-DIOXO-4-(2,4,6-TRIMETHYL-3-SULFOANILINO)ANTHRACEN-1-YL)AMINO)-2,4,6-TRIMETHYLBENZENESULFONIC ACID
Systematic Name English
2-MESITYLENESULFONIC ACID, 4,4'-(1,4-ANTHRAQUINONYLENEDIIMINO)DI-
Systematic Name English
BENZENESULFONIC ACID, 3,3'-((9,10-DIHYDRO-9,10-DIOXO-1,4-ANTHRACENEDIYL)DIIMINO)BIS(2,4,6-TRIMETHYL-
Systematic Name English
C.I. ACID BLUE 80, FREE ACID
Common Name English
3,3'-((9,10-DIHYDRO-9,10-DIOXOANTHRACENE-1,4-DIYL)BISIMINO)BIS(2,4,6-TRIMETHYLBENZENE-1-SULFONIC ACID)
Systematic Name English
J33.317D
Code English
Code System Code Type Description
PUBCHEM
20552
Created by admin on Sat Dec 16 11:02:33 GMT 2023 , Edited by admin on Sat Dec 16 11:02:33 GMT 2023
PRIMARY
CAS
28645-53-6
Created by admin on Sat Dec 16 11:02:33 GMT 2023 , Edited by admin on Sat Dec 16 11:02:33 GMT 2023
PRIMARY
FDA UNII
3C2U6FZ555
Created by admin on Sat Dec 16 11:02:33 GMT 2023 , Edited by admin on Sat Dec 16 11:02:33 GMT 2023
PRIMARY
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