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Details

Stereochemistry ACHIRAL
Molecular Formula C26H18N4O8S2
Molecular Weight 578.573
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-amino-9,10-dioxo-4-[4-[(4-sulfophenyl)diazenyl]anilino]anthracene-2-sulfonic acid

SMILES

NC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(NC4=CC=C(C=C4)\N=N\C5=CC=C(C=C5)S(O)(=O)=O)C=C1S(O)(=O)=O

InChI

InChIKey=XXTYDIGKTZNAIK-QVIHXGFCSA-N
InChI=1S/C26H18N4O8S2/c27-24-21(40(36,37)38)13-20(22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)28-14-5-7-15(8-6-14)29-30-16-9-11-17(12-10-16)39(33,34)35/h1-13,28H,27H2,(H,33,34,35)(H,36,37,38)/b30-29+

HIDE SMILES / InChI

Molecular Formula C26H18N4O8S2
Molecular Weight 578.573
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:57:36 GMT 2023
Edited
by admin
on Sat Dec 16 11:57:36 GMT 2023
Record UNII
GS5EVG2EYG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-amino-9,10-dioxo-4-[4-[(4-sulfophenyl)diazenyl]anilino]anthracene-2-sulfonic acid
Systematic Name English
1-Amino-9,10-dihydro-9,10-dioxo-4-[[4-[2-(4-sulfophenyl)diazenyl]phenyl]amino]-2-anthracenesulfonic acid
Common Name English
2-ANTHRACENESULFONIC ACID, 1-AMINO-9,10-DIHYDRO-9,10-DIOXO-4-((4-((4-SULFOPHENYL)AZO)PHENYL)AMINO)-
Common Name English
Code System Code Type Description
FDA UNII
GS5EVG2EYG
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
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PUBCHEM
5485477
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
PRIMARY
CAS
68399-90-6
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-998-5
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID8071485
Created by admin on Sat Dec 16 11:57:36 GMT 2023 , Edited by admin on Sat Dec 16 11:57:36 GMT 2023
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