1,3,5-tris(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)adamantane

Systemtic Name: 1,3,5-tris(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)adamantane Openeye Name: 1,3,5-tris(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)adamantane CAS Name: 1,3,5-tris(3,5-dimethoxy-4-prop-2-ynoxyphenyl)adamantane IUPAC Name: 1,3,5-tris(3,5-dimethoxy-4-prop-2-ynoxyphenyl)adamantane Traditional Name: 1,3,5-tris(3,5-dimethoxy-4-propargyloxy-phenyl)adamantane Formula: C43H46O9 MolecularWeight: 706.81994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC#C)OC)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=C(C(=C5)OC)OCC#C)OC)C6=CC(=C(C(=C6)OC)OCC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1OCC#C)OC)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=C(C(=C5)OC)OCC#C)OC)C6=CC(=C(C(=C6)OC)OCC#C)OC

InChI

InChI=1S/C43H46O9/c1-10-13-50-38-32(44-4)16-29(17-33(38)45-5)41-22-28-23-42(25-41,30-18-34(46-6)39(51-14-11-2)35(19-30)47-7)27-43(24-28,26-41)31-20-36(48-8)40(52-15-12-3)37(21-31)49-9/h1-3,16-21,28H,13-15,22-27H2,4-9H3