SODIUM 4-(NONANOYLOXY)BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H21O5S.Na
Molecular Weight	336.379
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 4-(NONANOYLOXY)BENZENESULFONATE

Structure Search

SMILES

[Na+].CCCCCCCCC(=O)OC1=CC=C(C=C1)S([O-])(=O)=O

InChI

InChIKey=KVSYNOOPFSVLNF-UHFFFAOYSA-M

InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-8-15(16)20-13-9-11-14(12-10-13)21(17,18)19;/h9-12H,2-8H2,1H3,(H,17,18,19);/q;+1/p-1

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	C15H21O5S
Molecular Weight	313.389
Charge	-1
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 08:24:10 GMT 2023` Edited by `admin` on `Sat Dec 16 08:24:10 GMT 2023`
Record UNII	642JLH7JVI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 4-(NONANOYLOXY)BENZENESULFONATE

Systematic Name

English

4-SULFOPHENYL NONANOATE SODIUM SALT

Systematic Name

English

NONANOIC ACID 4-((SODIOOXY)SULFONYL)PHENYL ESTER

Systematic Name

English

NONANOIC ACID, 4-SULFOPHENYL ESTER, SODIUM SALT

Common Name

English

SODIUM P-NONANOYLOXYBENZENESULFONATE

Common Name

English

4-(NONANOYLOXY)BENZENESULFONIC ACID SODIUM SALT

Systematic Name

English

NONANOIC ACID, 4-SULFOPHENYL ESTER, SODIUM SALT (1:1)

Systematic Name

English

P-(NONANOYLOXY)BENZENESULFONIC ACID SODIUM SALT

Common Name

English

P-SODIOSULFOPHENYL NONANOATE

Common Name

English

J86.506K

Code

English

Code System Code Type Description

EPA CompTox

DTXSID4029064