Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate

HCID 19695074

Basic information

Standard SMILES
CCOC(=O)c1ccc(/C=C/c2cccc3c2C(Sc2ccccc2)=CCC3(C)C)cc1
InChIKey
AGIAQCIVHMCLJF-DTQAZKPQSA-N
Molecular formula
C29H28O2S
Average molar mass
440.6 g/mol

Names & identifiers

Preferred name
Ethyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoate
IUPAC
ethyl 4-[(E)-2-(5,5-dimethyl-8-phenylsulfanyl-6H-naphthalen-1-yl)ethenyl]benzoate

Names & synonyms

AGIAQCIVHMCLJF-DTQAZKPQSA-NEthyl (E)-4-[2-(5 6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoateEthyl (E)-4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)naphthalenyl)ethenyl]benzoateethyl (E)4-[2-(5,6-dihydro-5,5-dimethyl-8-(phenylthio)-naphthalenyl)ethenyl]benzoate

Database identifiers

PubChem CID
19695074

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
51.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
32

Related reactions

18 records

Linked notes

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