octyl 4-(4-oxidanylidenehexanoyl)benzoate

Systemtic Name: octyl 4-(4-oxidanylidenehexanoyl)benzoate Openeye Name: octyl 4-(4-oxohexanoyl)benzoate CAS Name: 4-(1,4-dioxohexyl)benzoic acid octyl ester IUPAC Name: octyl 4-(4-oxohexanoyl)benzoate Traditional Name: 4-(4-ketohexanoyl)benzoic acid octyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)CCC(=O)CC

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)CCC(=O)CC

InChI

InChI=1S/C21H30O4/c1-3-5-6-7-8-9-16-25-21(24)18-12-10-17(11-13-18)20(23)15-14-19(22)4-2/h10-13H,3-9,14-16H2,1-2H3