5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanylidene-cyclohexyl]pentanal

Systemtic Name: 5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-oxidanylidene-cyclohexyl]pentanal Openeye Name: 5-[2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-oxo-cyclohexyl]pentanal CAS Name: 5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-oxocyclohexyl]pentanal IUPAC Name: 5-[2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-oxocyclohexyl]pentanal Traditional Name: 5-[2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-keto-cyclohexyl]valeraldehyde Formula: C33H46O3 MolecularWeight: 490.71654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCCCC=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2CCCCC=O)OCC3=CC=CC=C3

InChI

InChI=1S/C33H46O3/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/h7,9-10,14-15,18,20,22-23,27,31H,4-6,8,11-13,16-17,19,21,24-25H2,1-3H3