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

Systemtic Name: 6-[2-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[2-(1-adamantyl)-4-hydroxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[2-(1-adamantyl)-4-hydroxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[2-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[2-(1-adamantyl)-4-hydroxy-phenyl]-2-naphthoic acid Formula: C27H26O3 MolecularWeight: 398.49354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26O3/c28-23-5-6-24(21-3-1-20-11-22(26(29)30)4-2-19(20)10-21)25(12-23)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)