(2-hexylphenyl) 4-[4-(1-butoxyethyl)phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C31H38O3/c1-4-6-8-9-12-28-13-10-11-14-30(28)34-31(32)29-21-19-27(20-22-29)26-17-15-25(16-18-26)24(3)33-23-7-5-2/h10-11,13-22,24H,4-9,12,23H2,1-3H3