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

Systemtic Name: 6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-methylol-phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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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)CO

Isomeric SMILES

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

InChI

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