ethyl 4-[1-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]-4,4-dimethoxybut-1-en-2-yl]benzoate

HCID 54529596
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(C(=Cc2ccc3c(c2)C(c2ccc(C)s2)=CCC3(C)C)CC(OC)OC)cc1
InChIKey
YVOJPQZUAQTOIB-UHFFFAOYSA-N
Molecular formula
C32H36O4S
Average molar mass
516.7 g/mol
Monoisotopic mass
516.2334308

Names & identifiers

Preferred name
ethyl 4-[1-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]-4,4-dimethoxybut-1-en-2-yl]benzoate
IUPAC
ethyl 4-[1-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-naphthalen-2-yl]-4,4-dimethoxybut-1-en-2-yl]benzoate

Names & synonyms

SCHEMBL5327190

Database identifiers

PubChem CID
54529596

Properties

Computed structural properties

XLogP
8.1
Topological polar surface area
73 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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