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

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-nonoxy-phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-nonoxy-phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-nonoxyphenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-nonoxyphenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-nonoxy-phenyl]ethynyl]benzoic acid methyl ester Formula: C35H44O3 MolecularWeight: 512.72206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C35H44O3/c1-3-4-5-6-7-8-9-18-38-33-17-14-27(11-10-26-12-15-31(16-13-26)34(36)37-2)22-32(33)35-23-28-19-29(24-35)21-30(20-28)25-35/h12-17,22,28-30H,3-9,18-21,23-25H2,1-2H3