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

Systemtic Name: [4-(2-methylbutanoyl)phenyl] 4-(4-octoxyphenyl)-3-oxidanyl-benzoate Openeye Name: [4-(2-methylbutanoyl)phenyl] 3-hydroxy-4-(4-octoxyphenyl)benzoate CAS Name: 3-hydroxy-4-(4-octoxyphenyl)benzoic acid [4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [4-(2-methylbutanoyl)phenyl] 3-hydroxy-4-(4-octoxyphenyl)benzoate Traditional Name: 3-hydroxy-4-(4-octoxyphenyl)benzoic acid [4-(2-methylbutanoyl)phenyl] ester Formula: C32H38O5 MolecularWeight: 502.64112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38O5/c1-4-6-7-8-9-10-21-36-27-16-11-24(12-17-27)29-20-15-26(22-30(29)33)32(35)37-28-18-13-25(14-19-28)31(34)23(3)5-2/h11-20,22-23,33H,4-10,21H2,1-3H3