1-methyl-4-[4-[3-[4-(4-methylphenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene

Systemtic Name: 1-methyl-4-[4-[3-[4-(4-methylphenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene Openeye Name: 1-[1-ethynyl-1-[4-(4-methylphenoxy)phenyl]prop-2-ynyl]-4-(4-methylphenoxy)benzene CAS Name: 1-methyl-4-[4-[3-[4-(4-methylphenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene IUPAC Name: 1-methyl-4-[4-[3-[4-(4-methylphenoxy)phenyl]penta-1,4-diyn-3-yl]phenoxy]benzene Traditional Name: 1-[1-ethynyl-1-[4-(4-methylphenoxy)phenyl]prop-2-ynyl]-4-(4-methylphenoxy)benzene Formula: C31H24O2 MolecularWeight: 428.52106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C#C)(C#C)C3=CC=C(C=C3)OC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C#C)(C#C)C3=CC=C(C=C3)OC4=CC=C(C=C4)C

InChI

InChI=1S/C31H24O2/c1-5-31(6-2,25-11-19-29(20-12-25)32-27-15-7-23(3)8-16-27)26-13-21-30(22-14-26)33-28-17-9-24(4)10-18-28/h1-2,7-22H,3-4H3