Secondary metabolite:Isopentyl benzoate



EOCID000084
Summary

sCentInDB Chemical identifier: EOCID000084

Chemical name: Isopentyl benzoate

Molecular formula: C12H16O2

SMILES: CC(CCOC(=O)c1ccccc1)C

InChI: InChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey: MLLAPOCBLWUFAP-UHFFFAOYSA-N


Chemical classification

Kingdom: Organic compounds

Superclass: Benzenoids

Class: Benzene and substituted derivatives

Subclass: Benzoic acids and derivatives


Synonymous chemical name(s):
3-methylbutyl benzoate, isoamyl benzoate


External chemical identifier(s):
CID:7193, CHEMBL2260711, CHEMSPIDER:6925, ZINC000000394936, FDASRS:0AY72CK43K, MOLPORT:001-797-448, SURECHEMBL:SCHEMBL132524


Spectrabase ID:
EEJfVK7O4j1


Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT
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