pentan-2-yl 4-butylbenzoate

Systemtic Name: pentan-2-yl 4-butylbenzoate Openeye Name: 1-methylbutyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 1-methylbutyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C)CCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC(C)CCC

InChI

InChI=1S/C16H24O2/c1-4-6-8-14-9-11-15(12-10-14)16(17)18-13(3)7-5-2/h9-13H,4-8H2,1-3H3