methyl 4-[2-[3-(1-adamantyl)-4-(6-oxidanylhexoxy)phenyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-(6-oxidanylhexoxy)phenyl]ethynyl]benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-(6-hydroxyhexoxy)phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-(6-hydroxyhexoxy)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-(6-hydroxyhexoxy)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-(6-hydroxyhexoxy)phenyl]ethynyl]benzoic acid methyl ester Formula: C32H38O4 MolecularWeight: 486.64172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCCCCCCO)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OCCCCCCO)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C32H38O4/c1-35-31(34)28-11-8-23(9-12-28)6-7-24-10-13-30(36-15-5-3-2-4-14-33)29(19-24)32-20-25-16-26(21-32)18-27(17-25)22-32/h8-13,19,25-27,33H,2-5,14-18,20-22H2,1H3