4-[2-[3-(1-adamantyl)-4-(6-methoxyhexoxy)phenyl]ethynyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCCCCCOC1=C(C=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

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