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

Systemtic Name: 3-oxidanylideneoctan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-heptyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 3-oxooctan-2-yl ester IUPAC Name: 3-oxooctan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-keto-1-methyl-heptyl) ester Formula: C29H40O4 MolecularWeight: 452.6255

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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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H40O4/c1-4-6-8-9-10-12-22-32-27-20-18-25(19-21-27)24-14-16-26(17-15-24)29(31)33-23(3)28(30)13-11-7-5-2/h14-21,23H,4-13,22H2,1-3H3