3-(1-adamantyl)-1-[2-(4-methoxyphenyl)ethynyl]naphthalene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

InChI=1S/C30H28O3/c1-33-24-9-6-19(7-10-24)8-11-26-25-5-3-2-4-23(25)15-27(28(26)29(31)32)30-16-20-12-21(17-30)14-22(13-20)18-30/h2-7,9-10,15,20-22H,12-14,16-18H2,1H3,(H,31,32)