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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)CO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)CO

InChI

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