[(E)-6-methyl-1-phenyl-8-phenylmethoxy-oct-6-en-4-yn-3-yl] benzoate

Systemtic Name: [(E)-6-methyl-1-phenyl-8-phenylmethoxy-oct-6-en-4-yn-3-yl] benzoate Openeye Name: [(E)-6-benzyloxy-4-methyl-1-phenethyl-hex-4-en-2-ynyl] benzoate CAS Name: benzoic acid [(E)-6-methyl-1-phenyl-8-phenylmethoxyoct-6-en-4-yn-3-yl] ester IUPAC Name: [(E)-6-methyl-1-phenyl-8-phenylmethoxyoct-6-en-4-yn-3-yl] benzoate Traditional Name: benzoic acid [(E)-6-benzoxy-4-methyl-1-phenethyl-hex-4-en-2-ynyl] ester Formula: C29H28O3 MolecularWeight: 424.53082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOCC1=CC=CC=C1)C#CC(CCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C\COCC1=CC=CC=C1)/C#CC(CCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H28O3/c1-24(21-22-31-23-26-13-7-3-8-14-26)17-19-28(20-18-25-11-5-2-6-12-25)32-29(30)27-15-9-4-10-16-27/h2-16,21,28H,18,20,22-23H2,1H3/b24-21+