[4-(4-butylphenyl)phenyl] 4-(1-octoxyethyl)benzoate

Systemtic Name: [4-(4-butylphenyl)phenyl] 4-(1-octoxyethyl)benzoate Openeye Name: [4-(4-butylphenyl)phenyl] 4-(1-octoxyethyl)benzoate CAS Name: 4-(1-octoxyethyl)benzoic acid [4-(4-butylphenyl)phenyl] ester IUPAC Name: [4-(4-butylphenyl)phenyl] 4-(1-octoxyethyl)benzoate Traditional Name: 4-(1-octoxyethyl)benzoic acid [4-(4-butylphenyl)phenyl] ester Formula: C33H42O3 MolecularWeight: 486.68478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C33H42O3/c1-4-6-8-9-10-11-25-35-26(3)28-17-19-31(20-18-28)33(34)36-32-23-21-30(22-24-32)29-15-13-27(14-16-29)12-7-5-2/h13-24,26H,4-12,25H2,1-3H3