Tributyl[4-methyl-5-(2-{3-methyl-4-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)methoxy]phenyl}ethyl)thien-2-yl]stannane

HCID 21986389

Notes Reactions

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Basic information

Standard SMILES: CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(C)c(CCc2ccc(OCC34OCC(C)(CO3)CO4)c(C)c2)s1
InChIKey: VZNMXLCOOGAGTR-UHFFFAOYSA-N
Molecular formula: C33H52O4SSn
Average molar mass: 663.5 g/mol

Names & identifiers

Preferred name: Tributyl[4-methyl-5-(2-{3-methyl-4-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)methoxy]phenyl}ethyl)thien-2-yl]stannane
IUPAC: tributyl-[4-methyl-5-[2-[3-methyl-4-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)methoxy]phenyl]ethyl]thiophen-2-yl]stannane

Names & synonyms

SCHEMBL5862759VZNMXLCOOGAGTR-UHFFFAOYSA-Ntributyl[4-methyl-5-(2-{3-methyl-4-[(4-methyl-2,6,7-trioxabicyclo[2.2.2]oct-1-yl)methoxy]phenyl}ethyl)thien-2-yl]stannane

Database identifiers

PubChem CID: 21986389

Properties

Computed structural properties

Topological polar surface area: 65.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 16
Heavy atoms: 39
Formal charge: 0
Complexity: 688

Related reactions

2 records

New reaction record

HRID 9665As reactantuspto-grants-2006_08

HRID 1212228As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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