9a-butyl-7-methoxy-4-[4-(trifluoromethane-sulfonyloxy)-phenyl]-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HCID 21990918
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Basic information

Standard SMILES
CCCCC12CCC(=O)C(c3ccc(OS(=O)(=O)C(F)(F)F)cc3)=C1c1ccc(OC)cc1C2
InChIKey
LZTOTNJGIOMMBU-UHFFFAOYSA-N
Molecular formula
C25H25F3O5S
Average molar mass
494.5 g/mol
Monoisotopic mass
494.13747955

Names & identifiers

Preferred name
9a-butyl-7-methoxy-4-[4-(trifluoromethane-sulfonyloxy)-phenyl]-1,2,9,9a-tetrahydro-3H-fluoren-3-one
IUPAC
[4-(9a-butyl-7-methoxy-3-oxo-2,9-dihydro-1H-fluoren-4-yl)phenyl] trifluoromethanesulfonate

Names & synonyms

9a-butyl-7-methoxy-4-[4-(trifluoromethane-sulfonyloxy)-phenyl]-1,2,9,9a-tetrahydro-3H-fluoren-3-oneSCHEMBL2417256

Database identifiers

PubChem CID
21990918

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
78.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

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