STANNOUS STEARATE

General Information

Mainterm	STANNOUS STEARATE
CAS Reg.No.(or other ID)	6994-59-8
Regnum	175.105 175.300 178.3910 181.29

From www.fda.gov

Computed Descriptors

2D Structure
CID	2734723
IUPAC Name	octadecanoate;tin(2+)
InChI	InChI=1S/2C18H36O2.Sn/c21-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h22-17H2,1H3,(H,19,20);/q;;+2/p-2
InChI Key	CYCFYXLDTSNTGP-UHFFFAOYSA-L
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Sn+2]
Molecular Formula	C36H70O4Sn

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	685.662
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	30
Complexity	196.0
CACTVS Substructure Key Fingerprint	A A A D c f B 8 O A A A A A A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	80.3
Monoisotopic Mass	686.43
Exact Mass	686.43
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	41
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Long-chain fatty acids
Alternative Parents	Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Carboxylic acids Organic salts Carboxylic acid salts
Molecular Framework	Not available
Substituents	Long-chain fatty acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

From ClassyFire