3-hexyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one

Systemtic Name: 3-hexyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one Openeye Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-hexyl-cyclohex-2-en-1-one CAS Name: 3-hexyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohex-2-enone IUPAC Name: 3-hexyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohex-2-en-1-one Traditional Name: 5-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-3-hexyl-cyclohex-2-en-1-one Formula: C34H48O2 MolecularWeight: 488.74372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=O)CC(C1)C2=C(C=C(C=C2)C(C)(C)CCCCCC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC(=O)CC(C1)C2=C(C=C(C=C2)C(C)(C)CCCCCC)OCC3=CC=CC=C3

InChI

InChI=1S/C34H48O2/c1-5-7-9-12-18-28-22-29(24-31(35)23-28)32-20-19-30(34(3,4)21-15-10-8-6-2)25-33(32)36-26-27-16-13-11-14-17-27/h11,13-14,16-17,19-20,23,25,29H,5-10,12,15,18,21-22,24,26H2,1-4H3