methyl 6-[3-(1-adamantyl)-2-oxidanyl-phenyl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[3-(1-adamantyl)-2-oxidanyl-phenyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[3-(1-adamantyl)-2-hydroxy-phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-2-hydroxyphenyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(1-adamantyl)-2-hydroxyphenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-2-hydroxy-phenyl]naphthalene-2-carboxylic acid methyl ester Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=CC=C3)C45CC6CC(C4)CC(C6)C5)O

InChI

InChI=1S/C28H28O3/c1-31-27(30)23-8-6-20-12-22(7-5-21(20)13-23)24-3-2-4-25(26(24)29)28-14-17-9-18(15-28)11-19(10-17)16-28/h2-8,12-13,17-19,29H,9-11,14-16H2,1H3