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Details

Stereochemistry ACHIRAL
Molecular Formula C14H10N2O10S2
Molecular Weight 430.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,8-Dihydroxy-4,5-diaminoanthraquinone-2,7-disulfonic acid

SMILES

NC1=C2C(=O)C3=C(N)C=C(C(O)=C3C(=O)C2=C(O)C(=C1)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=WKMGHKXPMKHFLG-UHFFFAOYSA-N
InChI=1S/C14H10N2O10S2/c15-3-1-5(27(21,22)23)11(17)9-7(3)13(19)8-4(16)2-6(28(24,25)26)12(18)10(8)14(9)20/h1-2,17-18H,15-16H2,(H,21,22,23)(H,24,25,26)

HIDE SMILES / InChI

Molecular Formula C14H10N2O10S2
Molecular Weight 430.367
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:17:18 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:18 GMT 2025
Record UNII
929E2NN6JZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
Preferred Name English
1,8-Dihydroxy-4,5-diaminoanthraquinone-2,7-disulfonic acid
Systematic Name English
2,7-Anthracenedisulfonic acid, 4,5-diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxo-
Systematic Name English
4,5-Diamino-9,10-dihydro-1,8-dihydroxy-9,10-dioxo-2,7-anthracenedisulfonic acid
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
241-444-7
Created by admin on Tue Apr 01 20:17:18 GMT 2025 , Edited by admin on Tue Apr 01 20:17:18 GMT 2025
PRIMARY
PUBCHEM
80744
Created by admin on Tue Apr 01 20:17:18 GMT 2025 , Edited by admin on Tue Apr 01 20:17:18 GMT 2025
PRIMARY
FDA UNII
929E2NN6JZ
Created by admin on Tue Apr 01 20:17:18 GMT 2025 , Edited by admin on Tue Apr 01 20:17:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID70169779
Created by admin on Tue Apr 01 20:17:18 GMT 2025 , Edited by admin on Tue Apr 01 20:17:18 GMT 2025
PRIMARY
CAS
17418-72-3
Created by admin on Tue Apr 01 20:17:18 GMT 2025 , Edited by admin on Tue Apr 01 20:17:18 GMT 2025
PRIMARY