Results for:
PubChem ID: 633888

Ethyl 3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylate

Compound Details

Synonymous names
TWSAUDSFCGABMO-UHFFFAOYSA-N
Ethyl 3-methylsulfonyl-6-trifluoromethylphenanthrene-9-carboxylate
Ethyl 3-(methylsulfonyl)-6-(trifluoromethyl)-9-phenanthrenecarboxylate #
Microorganism:

No

IUPAC nameethyl 3-methylsulfonyl-6-(trifluoromethyl)phenanthrene-9-carboxylate
SMILESCCOC(=O)C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)S(=O)(=O)C)C(F)(F)F
InchiInChI=1S/C19H15F3O4S/c1-3-26-18(23)17-8-11-4-6-13(27(2,24)25)10-15(11)16-9-12(19(20,21)22)5-7-14(16)17/h4-10H,3H2,1-2H3
FormulaC19H15F3O4S
PubChem ID633888
Molweight396.4
LogP4.8
Atoms27
Bonds4
H-bond Acceptor7
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids esters halogenated compounds sulfonyls sulfur compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus NigerKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Nigerinoculated potato samplesGC-MSno