5-butyl-2-[4-(4-octoxyphenyl)phenyl]cyclohexan-1-one

Systemtic Name: 5-butyl-2-[4-(4-octoxyphenyl)phenyl]cyclohexan-1-one Openeye Name: 5-butyl-2-[4-(4-octoxyphenyl)phenyl]cyclohexanone CAS Name: 5-butyl-2-[4-(4-octoxyphenyl)phenyl]-1-cyclohexanone IUPAC Name: 5-butyl-2-[4-(4-octoxyphenyl)phenyl]cyclohexan-1-one Traditional Name: 5-butyl-2-[4-(4-octoxyphenyl)phenyl]cyclohexanone Formula: C30H42O2 MolecularWeight: 434.65328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

InChI

InChI=1S/C30H42O2/c1-3-5-7-8-9-10-22-32-28-19-17-26(18-20-28)25-13-15-27(16-14-25)29-21-12-24(11-6-4-2)23-30(29)31/h13-20,24,29H,3-12,21-23H2,1-2H3