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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N2O6S
Molecular Weight 364.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[3-(3-Aminophenyl)-1,3-dioxopropyl]amino]-4-methoxybenzenesulfonic acid

SMILES

COC1=CC=C(C=C1NC(=O)CC(=O)C2=CC=CC(N)=C2)S(O)(=O)=O

InChI

InChIKey=HUWZJDFGTKZUCX-UHFFFAOYSA-N
InChI=1S/C16H16N2O6S/c1-24-15-6-5-12(25(21,22)23)8-13(15)18-16(20)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9,17H2,1H3,(H,18,20)(H,21,22,23)

HIDE SMILES / InChI

Molecular Formula C16H16N2O6S
Molecular Weight 364.373
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 12:22:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:27 GMT 2023
Record UNII
Y2CWD7MZT6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[3-(3-Aminophenyl)-1,3-dioxopropyl]amino]-4-methoxybenzenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 3-[[3-(3-aminophenyl)-1,3-dioxopropyl]amino]-4-methoxy-
Systematic Name English
Code System Code Type Description
CAS
94133-74-1
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
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PUBCHEM
3023649
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
FDA UNII
Y2CWD7MZT6
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID30240679
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
302-737-6
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY