4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxy-benzoic acid CAS Name: 4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxybenzoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxybenzoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxy-benzoic acid Formula: C29H32O6 MolecularWeight: 476.56078

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCOCOC1=C(C=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O6/c1-33-8-9-34-18-35-27-7-5-19(2-3-20-4-6-24(28(31)32)26(30)14-20)13-25(27)29-15-21-10-22(16-29)12-23(11-21)17-29/h4-7,13-14,21-23,30H,8-12,15-18H2,1H3,(H,31,32)