(2-methylphenyl) 4-butylbenzoate

Systemtic Name: (2-methylphenyl) 4-butylbenzoate Openeye Name: o-tolyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid o-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=C2C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C

InChI

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