3-methylbutyl 3-methylbenzoate

Systemtic Name: 3-methylbutyl 3-methylbenzoate Openeye Name: isopentyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid isoamyl ester Formula: C13H18O2 MolecularWeight: 206.28082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCC(C)C

InChI

InChI=1S/C13H18O2/c1-10(2)7-8-15-13(14)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3