methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxy-benzoate CAS Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxybenzoate Traditional Name: 4-[2-[3-(1-adamantyl)-4-(1-methoxyethoxymethoxy)phenyl]ethynyl]-2-hydroxy-benzoic acid methyl ester Formula: C30H34O6 MolecularWeight: 490.58736

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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)OC)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

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

InChI

InChI=1S/C30H34O6/c1-19(33-2)35-18-36-28-9-7-20(4-5-21-6-8-25(27(31)14-21)29(32)34-3)13-26(28)30-15-22-10-23(16-30)12-24(11-22)17-30/h6-9,13-14,19,22-24,31H,10-12,15-18H2,1-3H3