6-ethyloctan-3-yl 4-chloranylbenzoate

Systemtic Name: 6-ethyloctan-3-yl 4-chloranylbenzoate Openeye Name: 1,4-diethylhexyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 6-ethyloctan-3-yl ester IUPAC Name: 6-ethyloctan-3-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 1,4-diethylhexyl ester Formula: C17H25ClO2 MolecularWeight: 296.8322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClO2/c1-4-13(5-2)7-12-16(6-3)20-17(19)14-8-10-15(18)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3