pentan-2-yl 3-methoxybenzoate

Systemtic Name: pentan-2-yl 3-methoxybenzoate Openeye Name: 1-methylbutyl 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid 1-methylbutyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=O)C1=CC(=CC=C1)OC

Isomeric SMILES

CCCC(C)OC(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C13H18O3/c1-4-6-10(2)16-13(14)11-7-5-8-12(9-11)15-3/h5,7-10H,4,6H2,1-3H3