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Details

Stereochemistry ACHIRAL
Molecular Formula C36H40O12S2.2Na
Molecular Weight 774.805
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CE-1037

SMILES

[Na+].[Na+].CC(C)(CS(=O)(=O)C1=CC=C(OC(=O)C(C)(C)C2=CC=C(C=C2)C(C)(C)C(=O)OC3=CC=C(C=C3)S(=O)(=O)CC(C)(C)C([O-])=O)C=C1)C([O-])=O

InChI

InChIKey=HTARXGMNANKUGQ-UHFFFAOYSA-L
InChI=1S/C36H42O12S2.2Na/c1-33(2,29(37)38)21-49(43,44)27-17-13-25(14-18-27)47-31(41)35(5,6)23-9-11-24(12-10-23)36(7,8)32(42)48-26-15-19-28(20-16-26)50(45,46)22-34(3,4)30(39)40;;/h9-20H,21-22H2,1-8H3,(H,37,38)(H,39,40);;/q;2*+1/p-2

HIDE SMILES / InChI

Approval Year

Name Type Language
CE-1037
Code English
BIS(4-(2'-CARBOXY-2'-METHYLPROPYLSULFONYL)PHENYL)-2,2'-(1,4-PHENYLENE)DIISOBUTYRATE DISODIUM
Systematic Name English
MDL-201404YA
Code English
1,4-BENZENEDIACETIC ACID, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRAMETHYL-, BIS(4-((2-CARBOXY-2-METHYLPROPYL)SULFONYL)PHENYL) ESTER, DISODIUM SALT
Systematic Name English
Code System Code Type Description
CAS
155947-72-1
Created by admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
PRIMARY
PUBCHEM
131801066
Created by admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
PRIMARY
FDA UNII
MAI9H9XYHP
Created by admin on Fri Dec 15 15:53:24 UTC 2023 , Edited by admin on Fri Dec 15 15:53:24 UTC 2023
PRIMARY