EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	46F21X4586
EPA CompTox	DTXSID9042411

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

46F21X4586

EPA CompTox

DTXSID9042411


InChI Key	MWZFQMUXPSUDJQ-KVVVOXFISA-M
Smiles	[Na+].CCCCCCCCC=C/CCCCCCCCOS(=O)(=O)[O-]
InChI	InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9-;

InChI Key

MWZFQMUXPSUDJQ-KVVVOXFISA-M

Smiles

[Na+].CCCCCCCCC=C/CCCCCCCCOS(=O)(=O)[O-]

InChI

InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9-;

Property Name	Value
Molecular Formula	C18H35NaO4S
Molecular Weight	370.22
AlogP	2.5
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	66.43
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H35NaO4S

Molecular Weight

370.22

AlogP

2.5

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

66.43

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	1847-55-8
NORMAN SUSDAT
FDA SRS	46F21X4586

Resources

Reference

CAS NUMBER

1847-55-8

NORMAN SUSDAT

FDA SRS

46F21X4586

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

SODIUM OLEYL SULFATE

Structure

Physicochemical Descriptors

Cross References