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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N2O7S
Molecular Weight 358.367
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1,4-diethyl 2-[(4-sulphophenyl)hydrazono]succinate

SMILES

CCOC(=O)CC(=NNC1=CC=C(C=C1)S(O)(=O)=O)C(=O)OCC

InChI

InChIKey=XNVPROHJLYURRG-VBKFSLOCSA-N
InChI=1S/C14H18N2O7S/c1-3-22-13(17)9-12(14(18)23-4-2)16-15-10-5-7-11(8-6-10)24(19,20)21/h5-8,15H,3-4,9H2,1-2H3,(H,19,20,21)/b16-12-

HIDE SMILES / InChI

Molecular Formula C14H18N2O7S
Molecular Weight 358.367
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 19:52:12 GMT 2023
Edited
by admin
on Sat Dec 16 19:52:12 GMT 2023
Record UNII
ZBT3A48MLZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-diethyl 2-[(4-sulphophenyl)hydrazono]succinate
Systematic Name English
Oxalacetic acid, diethyl ester, (p-sulfophenyl)hydrazone
Common Name English
BUTANEDIOIC ACID, ((4-SULFOPHENYL)HYDRAZONO)-, 1,4-DIETHYL ESTER
Common Name English
1,4-Diethyl 2-[2-(4-sulfophenyl)hydrazinylidene]butanedioate
Systematic Name English
Butanedioic acid, 2-[2-(4-sulfophenyl)hydrazinylidene]-, 1,4-diethyl ester
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
204-510-6
Created by admin on Sat Dec 16 19:52:12 GMT 2023 , Edited by admin on Sat Dec 16 19:52:12 GMT 2023
PRIMARY
PUBCHEM
9571049
Created by admin on Sat Dec 16 19:52:12 GMT 2023 , Edited by admin on Sat Dec 16 19:52:12 GMT 2023
PRIMARY
CAS
121-94-8
Created by admin on Sat Dec 16 19:52:12 GMT 2023 , Edited by admin on Sat Dec 16 19:52:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID5059535
Created by admin on Sat Dec 16 19:52:12 GMT 2023 , Edited by admin on Sat Dec 16 19:52:12 GMT 2023
PRIMARY
FDA UNII
ZBT3A48MLZ
Created by admin on Sat Dec 16 19:52:12 GMT 2023 , Edited by admin on Sat Dec 16 19:52:12 GMT 2023
PRIMARY