[2-(2,2-dimethylpropyl)furan-3-yl]methyl benzoate

Systemtic Name: [2-(2,2-dimethylpropyl)furan-3-yl]methyl benzoate Openeye Name: [2-(2,2-dimethylpropyl)-3-furyl]methyl benzoate CAS Name: benzoic acid [2-(2,2-dimethylpropyl)-3-furanyl]methyl ester IUPAC Name: [2-(2,2-dimethylpropyl)furan-3-yl]methyl benzoate Traditional Name: benzoic acid (2-neopentyl-3-furyl)methyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=C(C=CO1)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC1=C(C=CO1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O3/c1-17(2,3)11-15-14(9-10-19-15)12-20-16(18)13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3