3-(1-adamantyl)-1-(3-methoxyphenyl)-4-oxidanyl-naphthalene-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=C(C3=CC=CC=C32)O)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=C(C3=CC=CC=C32)O)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

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