6-[3-(1-adamantyl)-4-methoxy-5-oxidanyl-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-5-oxidanyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-5-hydroxy-4-methoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-5-hydroxy-4-methoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-5-hydroxy-4-methoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-5-hydroxy-4-methoxy-phenyl]-2-naphthoic acid Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=C(C=C1O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H28O4/c1-32-26-24(28-13-16-6-17(14-28)8-18(7-16)15-28)11-23(12-25(26)29)21-3-2-20-10-22(27(30)31)5-4-19(20)9-21/h2-5,9-12,16-18,29H,6-8,13-15H2,1H3,(H,30,31)