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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15NO7S
Molecular Weight 425.411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-methoxybenzenesulfonate

SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC(O)=C3C(=O)C4=CC=CC=C4C(=O)C3=C2N

InChI

InChIKey=FAYSAYVCKNLINZ-UHFFFAOYSA-N
InChI=1S/C21H15NO7S/c1-28-11-6-8-12(9-7-11)30(26,27)29-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H15NO7S
Molecular Weight 425.411
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 Sat Dec 16 13:14:42 GMT 2023
Edited
by admin
on Sat Dec 16 13:14:42 GMT 2023
Record UNII
J6266W7CR9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-methoxybenzenesulfonate
Systematic Name English
1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl 4-methoxybenzenesulfonate
Systematic Name English
1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-methoxybenzenesulphonate
Systematic Name English
Benzenesulfonic acid, 4-methoxy-, 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
J6266W7CR9
Created by admin on Sat Dec 16 13:14:42 GMT 2023 , Edited by admin on Sat Dec 16 13:14:42 GMT 2023
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CAS
16517-83-2
Created by admin on Sat Dec 16 13:14:42 GMT 2023 , Edited by admin on Sat Dec 16 13:14:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-584-6
Created by admin on Sat Dec 16 13:14:42 GMT 2023 , Edited by admin on Sat Dec 16 13:14:42 GMT 2023
PRIMARY
PUBCHEM
85468
Created by admin on Sat Dec 16 13:14:42 GMT 2023 , Edited by admin on Sat Dec 16 13:14:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID90167853
Created by admin on Sat Dec 16 13:14:42 GMT 2023 , Edited by admin on Sat Dec 16 13:14:42 GMT 2023
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