5-DECYL-2-(4-SULFOPHENOXY)BENZENESULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30O7S2
Molecular Weight	470.599
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-DECYL-2-(4-SULFOPHENOXY)BENZENESULFONIC ACID

Structure Search

SMILES

CCCCCCCCCCC1=CC(=C(OC2=CC=C(C=C2)S(O)(=O)=O)C=C1)S(O)(=O)=O

InChI

InChIKey=IMQJJOHZGYNKTI-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C22H30O7S2
Molecular Weight	470.599
Charge	0
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 11:46:21 GMT 2023` Edited by `admin` on `Sat Dec 16 11:46:21 GMT 2023`
Record UNII	B5KFE4GB6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-DECYL-2-(4-SULFOPHENOXY)BENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 5-DECYL-2-(4-SULFOPHENOXY)-

Systematic Name

English

Code System Code Type Description

FDA UNII

B5KFE4GB6U

Created by admin on Sat Dec 16 11:46:21 GMT 2023 , Edited by admin on Sat Dec 16 11:46:21 GMT 2023

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CAS

753419-39-5

Created by admin on Sat Dec 16 11:46:21 GMT 2023 , Edited by admin on Sat Dec 16 11:46:21 GMT 2023

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EPA CompTox

DTXSID70880078

Created by admin on Sat Dec 16 11:46:21 GMT 2023 , Edited by admin on Sat Dec 16 11:46:21 GMT 2023

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PUBCHEM

101614826

Created by admin on Sat Dec 16 11:46:21 GMT 2023 , Edited by admin on Sat Dec 16 11:46:21 GMT 2023

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