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

Systemtic Name: 2-[4-(6-oxidanylhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate Openeye Name: 2-[4-(6-hydroxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate CAS Name: 3-(1-adamantyl)benzoic acid 2-[4-(6-hydroxyhexoxy)phenyl]ethynyl ester IUPAC Name: 2-[4-(6-hydroxyhexoxy)phenyl]ethynyl 3-(1-adamantyl)benzoate Traditional Name: 3-(1-adamantyl)benzoic acid 2-[4-(6-hydroxyhexoxy)phenyl]ethynyl ester Formula: C31H36O4 MolecularWeight: 472.61514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCCCCCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC(=C4)C(=O)OC#CC5=CC=C(C=C5)OCCCCCCO

InChI

InChI=1S/C31H36O4/c32-13-3-1-2-4-14-34-29-10-8-23(9-11-29)12-15-35-30(33)27-6-5-7-28(19-27)31-20-24-16-25(21-31)18-26(17-24)22-31/h5-11,19,24-26,32H,1-4,13-14,16-18,20-22H2