1-ethoxy-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene

Systemtic Name: 1-ethoxy-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene Openeye Name: 1-ethoxy-4-[1-ethynyl-1-methyl-4-(3-phenoxyphenyl)butyl]benzene CAS Name: 1-ethoxy-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene IUPAC Name: 1-ethoxy-4-[3-methyl-6-(3-phenoxyphenyl)hex-1-yn-3-yl]benzene Traditional Name: 1-ethoxy-4-[1-methyl-1-[3-(3-phenoxyphenyl)propyl]prop-2-ynyl]benzene Formula: C27H28O2 MolecularWeight: 384.51002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)C#C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)(CCCC2=CC(=CC=C2)OC3=CC=CC=C3)C#C

InChI

InChI=1S/C27H28O2/c1-4-27(3,23-16-18-24(19-17-23)28-5-2)20-10-12-22-11-9-15-26(21-22)29-25-13-7-6-8-14-25/h1,6-9,11,13-19,21H,5,10,12,20H2,2-3H3