ethene; 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohept-3-en-1-one

Systemtic Name: ethene; 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohept-3-en-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohept-3-en-1-one; ethylene CAS Name: ethene; 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohept-3-enone IUPAC Name: ethene; 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohept-3-en-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohept-3-en-1-one; ethylene Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CCCCC(=O)C2)OCC3=CC=CC=C3.C=C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CCCCC(=O)C2)OCC3=CC=CC=C3.C=C

InChI

InChI=1S/C29H38O2.C2H4/c1-4-5-6-12-19-29(2,3)25-17-18-27(24-15-10-11-16-26(30)20-24)28(21-25)31-22-23-13-8-7-9-14-23;1-2/h7-9,13-15,17-18,21H,4-6,10-12,16,19-20,22H2,1-3H3;1-2H2