(2-butylphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate

Systemtic Name: (2-butylphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: (2-butylphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-butylphenyl) ester IUPAC Name: (2-butylphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-butylphenyl) ester Formula: C31H38O3 MolecularWeight: 458.63162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCC

Isomeric SMILES

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCC

InChI

InChI=1S/C31H38O3/c1-4-6-8-11-23-33-24(3)25-15-17-26(18-16-25)27-19-21-29(22-20-27)31(32)34-30-14-10-9-13-28(30)12-7-5-2/h9-10,13-22,24H,4-8,11-12,23H2,1-3H3