1-ethynyl-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene

Systemtic Name: 1-ethynyl-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene Openeye Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-4-ethynyl-benzene CAS Name: 1-ethynyl-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene IUPAC Name: 1-ethynyl-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene Traditional Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)butyl]-4-ethynyl-benzene Formula: C26H26O MolecularWeight: 354.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C26H26O/c1-4-21-15-17-23(18-16-21)26(2,3)19-9-11-22-10-8-14-25(20-22)27-24-12-6-5-7-13-24/h1,5-8,10,12-18,20H,9,11,19H2,2-3H3