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Details

Stereochemistry RACEMIC
Molecular Formula C10H8ClO3.Na
Molecular Weight 234.611
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NCS-356 SODIUM

SMILES

[Na+].OC(\C=C\C([O-])=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=FOMSNJCIQOFNOT-IPZCTEOASA-M
InChI=1S/C10H9ClO3.Na/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14;/h1-6,9,12H,(H,13,14);/q;+1/p-1/b6-5+;

HIDE SMILES / InChI

Approval Year

Name Type Language
NCS-356 SODIUM
Common Name English
(E)-4-(4-CHLOROPHENYL)-4-HYDROXYBUT-2-ENOIC ACID SODIUM SALT
Systematic Name English
2-BUTENOIC ACID, 4-(4-CHLOROPHENYL)-4-HYDROXY-, SODIUM SALT (1:1), (2E)-
Systematic Name English
Code System Code Type Description
CAS
430440-66-7
Created by admin on Sat Dec 16 11:30:26 UTC 2023 , Edited by admin on Sat Dec 16 11:30:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID10109992
Created by admin on Sat Dec 16 11:30:26 UTC 2023 , Edited by admin on Sat Dec 16 11:30:26 UTC 2023
PRIMARY
FDA UNII
M69F856TOG
Created by admin on Sat Dec 16 11:30:26 UTC 2023 , Edited by admin on Sat Dec 16 11:30:26 UTC 2023
PRIMARY
PUBCHEM
23681234
Created by admin on Sat Dec 16 11:30:26 UTC 2023 , Edited by admin on Sat Dec 16 11:30:26 UTC 2023
PRIMARY