2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohepta-2,3-dien-1-one

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohepta-2,3-dien-1-one Openeye Name: 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohepta-2,3-dien-1-one CAS Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohepta-2,3-dienone IUPAC Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohepta-2,3-dien-1-one Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohepta-2,3-dien-1-one Formula: C29H36O2 MolecularWeight: 416.59494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=C=CCCCC2=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=C=CCCCC2=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H36O2/c1-4-5-6-13-20-29(2,3)24-18-19-26(25-16-11-8-12-17-27(25)30)28(21-24)31-22-23-14-9-7-10-15-23/h7,9-11,14-15,18-19,21H,4-6,8,12-13,17,20,22H2,1-3H3