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

Systemtic Name: 3-oxidanylidenenonan-2-yl 4-(4-heptoxyphenyl)benzoate Openeye Name: (1-methyl-2-oxo-octyl) 4-(4-heptoxyphenyl)benzoate CAS Name: 4-(4-heptoxyphenyl)benzoic acid 3-oxononan-2-yl ester IUPAC Name: 3-oxononan-2-yl 4-(4-heptoxyphenyl)benzoate Traditional Name: 4-(4-heptoxyphenyl)benzoic acid (2-keto-1-methyl-octyl) ester Formula: C29H40O4 MolecularWeight: 452.6255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)C(=O)CCCCCC

InChI

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