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

Systemtic Name: 5-butyl-2-[4-(4-heptylphenyl)phenyl]cyclohexan-1-one Openeye Name: 5-butyl-2-[4-(4-heptylphenyl)phenyl]cyclohexanone CAS Name: 5-butyl-2-[4-(4-heptylphenyl)phenyl]-1-cyclohexanone IUPAC Name: 5-butyl-2-[4-(4-heptylphenyl)phenyl]cyclohexan-1-one Traditional Name: 5-butyl-2-[4-(4-heptylphenyl)phenyl]cyclohexanone Formula: C29H40O MolecularWeight: 404.6273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

InChI

InChI=1S/C29H40O/c1-3-5-7-8-9-11-23-12-15-25(16-13-23)26-17-19-27(20-18-26)28-21-14-24(10-6-4-2)22-29(28)30/h12-13,15-20,24,28H,3-11,14,21-22H2,1-2H3