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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(OC)OCOC1=C(C=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H32O6/c1-18(33-2)34-17-35-27-8-6-19(3-4-20-5-7-24(28(31)32)26(30)13-20)12-25(27)29-14-21-9-22(15-29)11-23(10-21)16-29/h5-8,12-13,18,21-23,30H,9-11,14-17H2,1-2H3,(H,31,32)