4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[5-(1-adamantyl)-2-methoxy-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]benzoic acid Formula: C30H34O6 MolecularWeight: 490.58736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34O6/c1-19(33-2)35-18-36-28-14-27(34-3)25(9-6-20-4-7-24(8-5-20)29(31)32)13-26(28)30-15-21-10-22(16-30)12-23(11-21)17-30/h4-5,7-8,13-14,19,21-23H,10-12,15-18H2,1-3H3,(H,31,32)