Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cccc3cc4c(cc23)C(c2ccc(C)s2)=CCC4(C)C)cc1- InChIKey
DHPKIXVUTOFVGG-UHFFFAOYSA-N- Molecular formula
- C30H28O2S
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro 4,4-dimethyl-anthracen-8-yl]-benzoate
- IUPAC
- ethyl 4-[5,5-dimethyl-8-(5-methylthiophen-2-yl)-6H-anthracen-1-yl]benzoate
Names & synonyms
SCHEMBL5326962DHPKIXVUTOFVGG-UHFFFAOYSA-Nethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro 4,4-dimethyl-anthracen-8-yl]-benzoateethyl 4-[1-(5-methyl-thien-2-yl)-3,4-dihydro-4,4-dimethyl-anthracen-8-yl]-benzoate
Database identifiers
- PubChem CID
- 18620054
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
9 records
Linked notes
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