[3-methyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [3-methyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [3-methyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [3-methyl-4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [3-methyl-4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [3-methyl-4-(2-methylbutanoyl)phenyl] ester Formula: C33H40O4 MolecularWeight: 500.6683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)C(C)CC)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C(=O)C(C)CC)C

InChI

InChI=1S/C33H40O4/c1-5-7-8-9-10-11-22-36-29-18-16-27(17-19-29)26-12-14-28(15-13-26)33(35)37-30-20-21-31(25(4)23-30)32(34)24(3)6-2/h12-21,23-24H,5-11,22H2,1-4H3