6-ethyloctan-3-yl 4-butylbenzoate

Systemtic Name: 6-ethyloctan-3-yl 4-butylbenzoate Openeye Name: 1,4-diethylhexyl 4-butylbenzoate CAS Name: 4-butylbenzoic acid 6-ethyloctan-3-yl ester IUPAC Name: 6-ethyloctan-3-yl 4-butylbenzoate Traditional Name: 4-butylbenzoic acid 1,4-diethylhexyl ester Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O2/c1-5-9-10-18-11-14-19(15-12-18)21(22)23-20(8-4)16-13-17(6-2)7-3/h11-12,14-15,17,20H,5-10,13,16H2,1-4H3