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

Systemtic Name: 3-oxidanylideneheptan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (1-methyl-2-oxo-hexyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 3-oxoheptan-2-yl ester IUPAC Name: 3-oxoheptan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-keto-1-methyl-hexyl) ester Formula: C28H38O3 MolecularWeight: 422.59952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

InChI

InChI=1S/C28H38O3/c1-4-6-8-9-10-11-12-23-14-16-24(17-15-23)25-18-20-26(21-19-25)28(30)31-22(3)27(29)13-7-5-2/h14-22H,4-13H2,1-3H3