(3-methylphenyl) 4-butylbenzoate

Systemtic Name: (3-methylphenyl) 4-butylbenzoate Openeye Name: m-tolyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid m-tolyl ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C

InChI

InChI=1S/C18H20O2/c1-3-4-7-15-9-11-16(12-10-15)18(19)20-17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3