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

Systemtic Name: 3-oxidanylidenenonan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (1-methyl-2-oxo-octyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 3-oxononan-2-yl ester IUPAC Name: 3-oxononan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-keto-1-methyl-octyl) ester Formula: C30H42O3 MolecularWeight: 450.65268

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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)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H42O3/c1-4-6-8-10-11-12-14-25-16-18-26(19-17-25)27-20-22-28(23-21-27)30(32)33-24(3)29(31)15-13-9-7-5-2/h16-24H,4-15H2,1-3H3