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

Details

Stereochemistry ACHIRAL
Molecular Formula C40H27N7O13S4
Molecular Weight 941.941
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of DIRECT BLUE 71 PARENT

SMILES

NC1=CC2=C(C=C1)C(O)=C(\N=N\C3=CC=C(\N=N\C4=CC=C(\N=N\C5=CC6=C(C=CC=C6S(O)(=O)=O)C(=C5)S(O)(=O)=O)C7=C4C=CC=C7)C8=C3C=C(C=C8)S(O)(=O)=O)C(=C2)S(O)(=O)=O

InChI

InChIKey=UVPBSQSZCVRVOH-AFEXQQQMSA-N
InChI=1S/C40H27N7O13S4/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-35-15-14-34(28-11-9-24(20-30(28)35)61(49,50)51)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b43-42+,45-44+,47-46+

HIDE SMILES / InChI

Molecular Formula C40H27N7O13S4
Molecular Weight 941.941
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 3
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:09 GMT 2023
Record UNII
Z22F9E7M75
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIRECT BLUE 71 PARENT
Common Name English
J301.908J
Code English
1,5-NAPHTHALENEDISULFONIC ACID, 3-(2-(4-(2-(4-(2-(6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-6-SULFO-1-NAPHTHALENYL)DIAZENYL)-1-NAPHTHALENYL)DIAZENYL)-
Systematic Name English
3-((4-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)DIAZENYL)-6-SULFO-1-NAPHTHYL)DIAZENYL)-1-NAPHTHYL)DIAZENYL)NAPHTHALENE-1,5-DISULFONIC ACID
Systematic Name English
3-((4-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-6-SULFO-1-NAPHTHYL)AZO)-1-NAPHTHYL)AZO)-1,5-NAPHTHALENEDISULFONIC ACID
Systematic Name English
3-((4-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)DIAZENYL)-6-SULFO-1-NAPHTHYL)DIAZENYL)-1-NAPHTHYL)DIAZENYL)-1,5-NAPHTHALENEDISULFONIC ACID
Systematic Name English
1,5-NAPHTHALENEDISULFONIC ACID, 3-((4-((4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)AZO)-6-SULFO-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-
Systematic Name English
3-((4-((4-((7-AMINO-4-HYDROXY-2-SULFO-3-NAPHTHALENYL)AZO)-6-SULFO-1-NAPHTHALENYL)AZO)-1-NAPHTHALENYL)AZO)-1,5-NAPHTHALENEDISULFONIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7045071
Created by admin on Sat Dec 16 08:24:09 GMT 2023 , Edited by admin on Sat Dec 16 08:24:09 GMT 2023
PRIMARY
FDA UNII
Z22F9E7M75
Created by admin on Sat Dec 16 08:24:09 GMT 2023 , Edited by admin on Sat Dec 16 08:24:09 GMT 2023
PRIMARY
CAS
25255-02-1
Created by admin on Sat Dec 16 08:24:09 GMT 2023 , Edited by admin on Sat Dec 16 08:24:09 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT