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

Systemtic Name: 2-[4-(4-octoxyphenyl)phenyl]-5-propyl-cyclohexan-1-one Openeye Name: 2-[4-(4-octoxyphenyl)phenyl]-5-propyl-cyclohexanone CAS Name: 2-[4-(4-octoxyphenyl)phenyl]-5-propyl-1-cyclohexanone IUPAC Name: 2-[4-(4-octoxyphenyl)phenyl]-5-propylcyclohexan-1-one Traditional Name: 2-[4-(4-octoxyphenyl)phenyl]-5-propyl-cyclohexanone Formula: C29H40O2 MolecularWeight: 420.6267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40O2/c1-3-5-6-7-8-9-21-31-27-18-16-25(17-19-27)24-12-14-26(15-13-24)28-20-11-23(10-4-2)22-29(28)30/h12-19,23,28H,3-11,20-22H2,1-2H3