methyl 4-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-oxidanyl-naphthalen-2-yl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]-2-hydroxy-benzoate CAS Name: 4-[7-(1-adamantyl)-6-hydroxy-2-naphthalenyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-hydroxynaphthalen-2-yl]-2-hydroxybenzoate Traditional Name: 4-[7-(1-adamantyl)-6-hydroxy-2-naphthyl]-2-hydroxy-benzoic acid methyl ester Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)O)C45CC6CC(C4)CC(C6)C5)O

InChI

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