3-oxidanylidenenonan-2-yl 4-(4-heptylphenyl)benzoate

Systemtic Name: 3-oxidanylidenenonan-2-yl 4-(4-heptylphenyl)benzoate Openeye Name: (1-methyl-2-oxo-octyl) 4-(4-heptylphenyl)benzoate CAS Name: 4-(4-heptylphenyl)benzoic acid 3-oxononan-2-yl ester IUPAC Name: 3-oxononan-2-yl 4-(4-heptylphenyl)benzoate Traditional Name: 4-(4-heptylphenyl)benzoic acid (2-keto-1-methyl-octyl) ester Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCCC

InChI

InChI=1S/C29H40O3/c1-4-6-8-10-11-13-24-15-17-25(18-16-24)26-19-21-27(22-20-26)29(31)32-23(3)28(30)14-12-9-7-5-2/h15-23H,4-14H2,1-3H3