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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32O4S.2Na
Molecular Weight 486.574
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKF-S-106203-Z2

SMILES

[Na+].[Na+].[O-]C(=O)CCS[C@@H](CC([O-])=O)C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2

InChI

InChIKey=RNOXIJBMSOEQDY-ASMAMLKCSA-L
InChI=1S/C26H34O4S.2Na/c27-25(28)18-19-31-24(20-26(29)30)23-17-11-10-16-22(23)15-9-4-2-1-3-6-12-21-13-7-5-8-14-21;;/h5,7-8,10-11,13-14,16-17,24H,1-4,6,9,12,15,18-20H2,(H,27,28)(H,29,30);;/q;2*+1/p-2/t24-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H32O4S
Molecular Weight 440.595
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:26 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:26 UTC 2019
Record UNII
02I18P57VP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKF-S-106203-Z2
Code English
SKB-106203 DISODIUM
Code English
SKF-106203 DISODIUM
Code English
BENZENEPROPANOIC ACID, .BETA.-((2-CARBOXYETHYL)THIO)-2-(8-PHENYLOCTYL)-, DISODIUM SALT, (.BETA.S)-
Systematic Name English
Code System Code Type Description
CAS
136182-71-3
Created by admin on Tue Oct 22 12:35:26 UTC 2019 , Edited by admin on Tue Oct 22 12:35:26 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE