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Structure

2-(2,6-Octadienylthio)ethanol

CAS
94135-33-8
Catalog Number
ACM94135338
Category
Other Products
Molecular Weight
186.314320 [g/mol]
Molecular Formula
C10H18OS

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Specification

Synonyms
2-(2,6-Octadienylthio)ethanol, EINECS 302-902-2, CID6366458, 94135-33-8
IUPAC Name
2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol
Canonical SMILES
CC=CCCC=CCSCCO
InChI Key
FEAIFWLZCMLWTH-BLWKUPHCSA-N
EC Number
302-902-2
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound?

The molecular formula of the compound is C10H18OS.

What are the synonyms of the compound?

The compound is also known as 2-(2,6-Octadienylthio)ethanol and has the synonyms EINECS 302-902-2 and 94135-33-8.

What is the computed IUPAC name of the compound?

The computed IUPAC name of the compound is 2-[(2E,6E)-octa-2,6-dienyl]sulfanylethanol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H18OS/c1-2-3-4-5-6-7-9-12-10-8-11/h2-3,6-7,11H,4-5,8-10H2,1H3/b3-2+,7-6+.

What is the InChIKey of the compound?

The InChIKey of the compound is FEAIFWLZCMLWTH-BLWKUPHCSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC=CCCC=CCSCCO.

What is the isomeric SMILES of the compound?

The isomeric SMILES of the compound is C/C=C/CC/C=C/CSCCO.

What is the CAS number of the compound?

The CAS number of the compound is 94135-33-8.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 302-902-2.

What is the molecular weight of the compound?

The molecular weight of the compound is 186.32 g/mol.

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