octan-2-yl 2-(4-octoxyphenyl)benzoate

Systemtic Name: octan-2-yl 2-(4-octoxyphenyl)benzoate Openeye Name: 1-methylheptyl 2-(4-octoxyphenyl)benzoate CAS Name: 2-(4-octoxyphenyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-(4-octoxyphenyl)benzoate Traditional Name: 2-(4-octoxyphenyl)benzoic acid 1-methylheptyl ester Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)CCCCCC

InChI

InChI=1S/C29H42O3/c1-4-6-8-10-11-15-23-31-26-21-19-25(20-22-26)27-17-13-14-18-28(27)29(30)32-24(3)16-12-9-7-5-2/h13-14,17-22,24H,4-12,15-16,23H2,1-3H3