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

Systemtic Name: 3-oxidanylidenenonan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-octyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 3-oxononan-2-yl ester IUPAC Name: 3-oxononan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-keto-1-methyl-octyl) ester Formula: C30H42O4 MolecularWeight: 466.65208

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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)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H42O4/c1-4-6-8-10-11-13-23-33-28-21-19-26(20-22-28)25-15-17-27(18-16-25)30(32)34-24(3)29(31)14-12-9-7-5-2/h15-22,24H,4-14,23H2,1-3H3