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

Systemtic Name: 6-[3-(1-adamantyl)-4-carboxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-carboxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-carboxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-carboxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-carboxy-phenyl]-2-naphthoic acid Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)C(=O)O

InChI

InChI=1S/C28H26O4/c29-26(30)23-4-3-19-10-20(1-2-21(19)11-23)22-5-6-24(27(31)32)25(12-22)28-13-16-7-17(14-28)9-18(8-16)15-28/h1-6,10-12,16-18H,7-9,13-15H2,(H,29,30)(H,31,32)