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Details

Stereochemistry RACEMIC
Molecular Formula C13H13O3.Na
Molecular Weight 240.2303
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NCS-382 SODIUM

SMILES

[Na+].OC1C2=CC=CC=C2CCC\C1=C/C([O-])=O

InChI

InChIKey=BTWDZCORIHHOPO-VRTOBVRTSA-M
InChI=1S/C13H14O3.Na/c14-12(15)8-10-6-3-5-9-4-1-2-7-11(9)13(10)16;/h1-2,4,7-8,13,16H,3,5-6H2,(H,14,15);/q;+1/p-1/b10-8+;

HIDE SMILES / InChI

Approval Year

Name Type Language
NCS-382 SODIUM
Common Name English
ACETIC ACID, 2-(5,7,8,9-TETRAHYDRO-5-HYDROXY-6H-BENZOCYCLOHEPTEN-6-YLIDENE)-, SODIUM SALT (1:1)
Systematic Name English
NCS-382 SODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
6QI4I5N23X
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID301017108
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
PRIMARY
WIKIPEDIA
NCS-382
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
PRIMARY
CAS
131733-92-1
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
639070-43-2
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
PRIMARY
PUBCHEM
5875450
Created by admin on Sat Dec 16 11:22:23 UTC 2023 , Edited by admin on Sat Dec 16 11:22:23 UTC 2023
PRIMARY