4-methylpentyl 4-butylbenzoate

Systemtic Name: 4-methylpentyl 4-butylbenzoate Openeye Name: isohexyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid isohexyl ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCCCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCCCC(C)C

InChI

InChI=1S/C17H26O2/c1-4-5-8-15-9-11-16(12-10-15)17(18)19-13-6-7-14(2)3/h9-12,14H,4-8,13H2,1-3H3