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

Systemtic Name: 3-oxidanylideneheptan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-hexyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 3-oxoheptan-2-yl ester IUPAC Name: 3-oxoheptan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-keto-1-methyl-hexyl) ester Formula: C28H38O4 MolecularWeight: 438.59892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCC

InChI

InChI=1S/C28H38O4/c1-4-6-8-9-10-11-21-31-26-19-17-24(18-20-26)23-13-15-25(16-14-23)28(30)32-22(3)27(29)12-7-5-2/h13-20,22H,4-12,21H2,1-3H3