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

Details

Stereochemistry ACHIRAL
Molecular Formula C33H25N5O6S2
Molecular Weight 651.711
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of ACID BLUE 120 PARENT

SMILES

CC1=CC=C(NC2=CC=C(\N=N\C3=CC=C(\N=N\C4=CC=CC(=C4)S(O)(=O)=O)C5=C3C=CC=C5)C6=C2C(=CC=C6)S(O)(=O)=O)C=C1

InChI

InChIKey=JLGHRHTZYNYXMD-JKWOPUAESA-N
InChI=1S/C33H25N5O6S2/c1-21-12-14-22(15-13-21)34-31-19-18-30(27-10-5-11-32(33(27)31)46(42,43)44)38-37-29-17-16-28(25-8-2-3-9-26(25)29)36-35-23-6-4-7-24(20-23)45(39,40)41/h2-20,34H,1H3,(H,39,40,41)(H,42,43,44)/b36-35+,38-37+

HIDE SMILES / InChI

Molecular Formula C33H25N5O6S2
Molecular Weight 651.711
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:10 GMT 2023
Record UNII
R0Z66J523V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID BLUE 120 PARENT
Common Name English
8-(4-METHYLANILINO)-5-((4-((3-SULFOPHENYL)DIAZENYL)NAPHTHALEN-1-YL)DIAZENYL)NAPHTHALENE-1-SULFONIC ACID
Systematic Name English
J269.396H
Code English
SULFONE CYANINE
Common Name English
1-NAPHTHALENESULFONIC ACID, 8-((4-METHYLPHENYL)AMINO)-5-((4-((3-SULFOPHENYL)AZO)-1-NAPHTHALENYL)AZO)-
Systematic Name English
8-((4-METHYLPHENYL)AMINO)-5-((E)-(4-((E)-(3-SULFOPHENYL)DIAZENYL)-1-NAPHTHYL)DIAZENYL)-1-NAPHTHALENESULFONIC ACID
Systematic Name English
8-(4-METHYLPHENYLAMINO)-5-(4-(3-SULFOPHENYLAZO)-1-NAPHTHALENYLAZO)-1-NAPHTHALENESULFONIC ACID
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 8-((4-METHYLPHENYL)AMINO)-5-((E)-2-(4-((E)-2-(3-SULFOPHENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 8-((4-METHYLPHENYL)AMINO)-5-(2-(4-(2-(3-SULFOPHENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
R0Z66J523V
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
PUBCHEM
72587
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
CAS
25305-91-3
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID2045070
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT