4-methylpentyl 4-methylbenzoate

Systemtic Name: 4-methylpentyl 4-methylbenzoate Openeye Name: isohexyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid isohexyl ester Formula: C14H20O2 MolecularWeight: 220.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2/c1-11(2)5-4-10-16-14(15)13-8-6-12(3)7-9-13/h6-9,11H,4-5,10H2,1-3H3