6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylic acid Openeye Name: 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]naphthalene-2-carboxylic acid CAS Name: 6-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-[3-(1-adamantyl)-4-methoxyphenyl]ethynyl]naphthalene-2-carboxylic acid Traditional Name: 6-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethynyl]-2-naphthoic acid Formula: C30H28O3 MolecularWeight: 436.54152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H28O3/c1-33-28-9-5-20(14-27(28)30-16-21-10-22(17-30)12-23(11-21)18-30)3-2-19-4-6-25-15-26(29(31)32)8-7-24(25)13-19/h4-9,13-15,21-23H,10-12,16-18H2,1H3,(H,31,32)