[1-[2-(2,2-dimethylpropyl)furan-3-yl]-2,2-dimethyl-propyl] benzoate

Systemtic Name: [1-[2-(2,2-dimethylpropyl)furan-3-yl]-2,2-dimethyl-propyl] benzoate Openeye Name: [1-[2-(2,2-dimethylpropyl)-3-furyl]-2,2-dimethyl-propyl] benzoate CAS Name: benzoic acid [1-[2-(2,2-dimethylpropyl)-3-furanyl]-2,2-dimethylpropyl] ester IUPAC Name: [1-[2-(2,2-dimethylpropyl)furan-3-yl]-2,2-dimethylpropyl] benzoate Traditional Name: benzoic acid [2,2-dimethyl-1-(2-neopentyl-3-furyl)propyl] ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-20(2,3)14-17-16(12-13-23-17)18(21(4,5)6)24-19(22)15-10-8-7-9-11-15/h7-13,18H,14H2,1-6H3