2-methylbutyl 4-(4-octoxyphenyl)benzoate

Systemtic Name: 2-methylbutyl 4-(4-octoxyphenyl)benzoate Openeye Name: 2-methylbutyl 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid 2-methylbutyl ester Formula: C26H36O3 MolecularWeight: 396.56224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C26H36O3/c1-4-6-7-8-9-10-19-28-25-17-15-23(16-18-25)22-11-13-24(14-12-22)26(27)29-20-21(3)5-2/h11-18,21H,4-10,19-20H2,1-3H3