TRIETHANOLAMINE O-DODECYLBENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H30O3S.C6H15NO3
Molecular Weight	475.682
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIETHANOLAMINE O-DODECYLBENZENESULFONATE

Structure Search

SMILES

OCCN(CCO)CCO.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O

InChI

InChIKey=BTMZHHCFEOXAAN-UHFFFAOYSA-N

InChI=1S/C18H30O3S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;8-4-1-7(2-5-9)3-6-10/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);8-10H,1-6H2

HIDE SMILES / InChI

Molecular Formula	C6H15NO3
Molecular Weight	149.1882
Charge	0
Count

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

Molecular Formula	C18H30O3S
Molecular Weight	326.494
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 10:58:30 UTC 2023` Edited by `admin` on `Sat Dec 16 10:58:30 UTC 2023`
Record UNII	FA2JU09Y4F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIETHANOLAMINE O-DODECYLBENZENESULFONATE

Common Name

English

BENZENESULFONIC ACID, O-DODECYL-, COMPD. WITH 2,2',2''-NITRILOTRIETHANOL

Common Name

English

BENZENESULFONIC ACID, O-DODECYL-, COMPD. WITH 2,2',2''-NITRILOTRIETHANOL (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

FA2JU09Y4F

Created by admin on Sat Dec 16 10:58:30 UTC 2023 , Edited by admin on Sat Dec 16 10:58:30 UTC 2023

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CAS

4318-04-1

Created by admin on Sat Dec 16 10:58:30 UTC 2023 , Edited by admin on Sat Dec 16 10:58:30 UTC 2023

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PUBCHEM

13476707

Created by admin on Sat Dec 16 10:58:30 UTC 2023 , Edited by admin on Sat Dec 16 10:58:30 UTC 2023

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