(E)-4-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]but-3-en-2-one

Systemtic Name: (E)-4-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]but-3-en-2-one Openeye Name: (E)-4-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]but-3-en-2-one CAS Name: (E)-4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-3-buten-2-one IUPAC Name: (E)-4-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]but-3-en-2-one Traditional Name: (E)-4-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]but-3-en-2-one Formula: C26H34O2 MolecularWeight: 378.54696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C=CC(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)/C=C/C(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C26H34O2/c1-5-6-7-11-18-26(3,4)24-17-16-23(15-14-21(2)27)25(19-24)28-20-22-12-9-8-10-13-22/h8-10,12-17,19H,5-7,11,18,20H2,1-4H3/b15-14+