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Details

Stereochemistry ACHIRAL
Molecular Formula C26H19N5O4S
Molecular Weight 497.525
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLACK 3 FREE ACID

SMILES

NC1=CC=C2C=C(C(\N=N\C3=CC=C(\N=N\C4=CC=CC=C4)C5=CC=CC=C35)=C(O)C2=C1)S(O)(=O)=O

InChI

InChIKey=NQZIRZFUIYEPSW-DUJDKOHPSA-N
InChI=1S/C26H19N5O4S/c27-17-11-10-16-14-24(36(33,34)35)25(26(32)21(16)15-17)31-30-23-13-12-22(19-8-4-5-9-20(19)23)29-28-18-6-2-1-3-7-18/h1-15,32H,27H2,(H,33,34,35)/b29-28+,31-30+

HIDE SMILES / InChI

Molecular Formula C26H19N5O4S
Molecular Weight 497.525
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:24:38 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:38 GMT 2023
Record UNII
UIT0U544O0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT BLACK 3 FREE ACID
Common Name English
2-NAPHTHALENESULFONIC ACID, 6-AMINO-4-HYDROXY-3-((4-(PHENYLAZO)-1-NAPHTHALENYL)AZO)-
Systematic Name English
2-NAPHTHALENESULFONIC ACID, 6-AMINO-4-HYDROXY-3-(2-(4-(2-PHENYLDIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
UIT0U544O0
Created by admin on Sat Dec 16 12:24:38 GMT 2023 , Edited by admin on Sat Dec 16 12:24:38 GMT 2023
PRIMARY
CAS
224790-31-2
Created by admin on Sat Dec 16 12:24:38 GMT 2023 , Edited by admin on Sat Dec 16 12:24:38 GMT 2023
PRIMARY
Related Record Type Details
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