DISODIUM MONODECYL PHENYL ETHER DISULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H28O7S2.2Na
Molecular Weight	514.563
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DISODIUM MONODECYL PHENYL ETHER DISULFONATE

Structure Search

SMILES

[Na+].[Na+].CCCCCCCCCCC1=C(C=CC(OC2=CC=C(C=C2)S([O-])(=O)=O)=C1)S([O-])(=O)=O

InChI

InChIKey=SSQKKDNEWRLKIT-UHFFFAOYSA-L

InChI=1S/C22H30O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-18-17-20(13-16-22(18)31(26,27)28)29-19-11-14-21(15-12-19)30(23,24)25;;/h11-17H,2-10H2,1H3,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H28O7S2
Molecular Weight	468.584
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:59 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:59 GMT 2023`
Record UNII	XIO155721O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM MONODECYL PHENYL ETHER DISULFONATE

Common Name

English

Code System Code Type Description

CAS

901131-41-7

Created by admin on Sat Dec 16 08:39:59 GMT 2023 , Edited by admin on Sat Dec 16 08:39:59 GMT 2023

MAJOR COMPONENT STRUCTURE/SEQUENCE

FDA UNII

XIO155721O

Created by admin on Sat Dec 16 08:39:59 GMT 2023 , Edited by admin on Sat Dec 16 08:39:59 GMT 2023

PRIMARY

EPA CompTox

DTXSID60891214

Created by admin on Sat Dec 16 08:39:59 GMT 2023 , Edited by admin on Sat Dec 16 08:39:59 GMT 2023

PRIMARY

PUBCHEM

131633442

Created by admin on Sat Dec 16 08:39:59 GMT 2023 , Edited by admin on Sat Dec 16 08:39:59 GMT 2023

PRIMARY

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