(E)-5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanylidene-cyclohexyl]pent-3-enal

Systemtic Name: (E)-5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanylidene-cyclohexyl]pent-3-enal Openeye Name: (E)-5-[2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-oxo-cyclohexyl]pent-3-enal CAS Name: (E)-5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-oxocyclohexyl]-3-pentenal IUPAC Name: (E)-5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-oxocyclohexyl]pent-3-enal Traditional Name: (E)-5-[2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-keto-cyclohexyl]pent-3-enal Formula: C33H44O3 MolecularWeight: 488.70066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CC=CCC=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2C/C=C/CC=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H44O3/c1-4-5-6-12-21-33(2,3)28-18-20-30(32(23-28)36-25-26-14-9-7-10-15-26)31-24-29(35)19-17-27(31)16-11-8-13-22-34/h7-11,14-15,18,20,22-23,27,31H,4-6,12-13,16-17,19,21,24-25H2,1-3H3/b11-8+