methyl 4-[2-[3-(1-adamantyl)-4-hexoxy-phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-hexoxy-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-hexoxy-phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-hexoxyphenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-hexoxyphenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-hexoxy-phenyl]ethynyl]benzoic acid methyl ester Formula: C32H38O3 MolecularWeight: 470.64232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C32H38O3/c1-3-4-5-6-15-35-30-14-11-24(8-7-23-9-12-28(13-10-23)31(33)34-2)19-29(30)32-20-25-16-26(21-32)18-27(17-25)22-32/h9-14,19,25-27H,3-6,15-18,20-22H2,1-2H3