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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3=O)CCCC

InChI

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