3,5-bis(4-octylphenyl)-1,2-oxazole

Systemtic Name: 3,5-bis(4-octylphenyl)-1,2-oxazole Openeye Name: 3,5-bis(4-octylphenyl)isoxazole CAS Name: 3,5-bis(4-octylphenyl)isoxazole IUPAC Name: 3,5-bis(4-octylphenyl)-1,2-oxazole Traditional Name: 3,5-bis(4-octylphenyl)isoxazole Formula: C31H43NO MolecularWeight: 445.67922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)CCCCCCCC

InChI

InChI=1S/C31H43NO/c1-3-5-7-9-11-13-15-26-17-21-28(22-18-26)30-25-31(33-32-30)29-23-19-27(20-24-29)16-14-12-10-8-6-4-2/h17-25H,3-16H2,1-2H3