1-ethoxy-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene

Systemtic Name: 1-ethoxy-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Openeye Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]-4-ethoxy-benzene CAS Name: 1-ethoxy-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene IUPAC Name: 1-ethoxy-4-[2-methyl-5-(3-phenoxyphenyl)hept-6-yn-2-yl]benzene Traditional Name: 1-[1,1-dimethyl-4-(3-phenoxyphenyl)hex-5-ynyl]-4-ethoxy-benzene Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O2/c1-5-22(19-20-28(3,4)24-15-17-25(18-16-24)29-6-2)23-11-10-14-27(21-23)30-26-12-8-7-9-13-26/h1,7-18,21-22H,6,19-20H2,2-4H3