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

Systemtic Name: 6-[3-(2-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(2-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(2-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(2-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(2-adamantyl)-4-methylol-phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)CO

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)CO

InChI

InChI=1S/C28H28O3/c29-15-23-6-4-21(19-1-2-20-13-22(28(30)31)5-3-18(20)12-19)14-26(23)27-24-8-16-7-17(10-24)11-25(27)9-16/h1-6,12-14,16-17,24-25,27,29H,7-11,15H2,(H,30,31)