6-[3-(1-adamantyl)-4-prop-2-ynoxy-phenyl]naphthalene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C30H28O3/c1-2-9-33-28-8-7-25(23-3-4-24-14-26(29(31)32)6-5-22(24)13-23)15-27(28)30-16-19-10-20(17-30)12-21(11-19)18-30/h1,3-8,13-15,19-21H,9-12,16-18H2,(H,31,32)