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

Systemtic Name: 5-heptyl-2-[2-[4-(4-octoxyphenyl)phenyl]ethanoyl]cyclohexan-1-one Openeye Name: 5-heptyl-2-[2-[4-(4-octoxyphenyl)phenyl]acetyl]cyclohexanone CAS Name: 5-heptyl-2-[2-[4-(4-octoxyphenyl)phenyl]-1-oxoethyl]-1-cyclohexanone IUPAC Name: 5-heptyl-2-[2-[4-(4-octoxyphenyl)phenyl]acetyl]cyclohexan-1-one Traditional Name: 5-heptyl-2-[2-[4-(4-octoxyphenyl)phenyl]acetyl]cyclohexanone Formula: C35H50O3 MolecularWeight: 518.7697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H50O3/c1-3-5-7-9-11-13-25-38-32-22-20-31(21-23-32)30-18-15-29(16-19-30)27-35(37)33-24-17-28(26-34(33)36)14-12-10-8-6-4-2/h15-16,18-23,28,33H,3-14,17,24-27H2,1-2H3