3-oxidanylideneheptan-2-yl 4-(4-hexylphenyl)benzoate

Systemtic Name: 3-oxidanylideneheptan-2-yl 4-(4-hexylphenyl)benzoate Openeye Name: (1-methyl-2-oxo-hexyl) 4-(4-hexylphenyl)benzoate CAS Name: 4-(4-hexylphenyl)benzoic acid 3-oxoheptan-2-yl ester IUPAC Name: 3-oxoheptan-2-yl 4-(4-hexylphenyl)benzoate Traditional Name: 4-(4-hexylphenyl)benzoic acid (2-keto-1-methyl-hexyl) ester Formula: C26H34O3 MolecularWeight: 394.54636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

InChI

InChI=1S/C26H34O3/c1-4-6-8-9-10-21-12-14-22(15-13-21)23-16-18-24(19-17-23)26(28)29-20(3)25(27)11-7-5-2/h12-20H,4-11H2,1-3H3