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

Systemtic Name: 6-[5-(1-adamantyl)-2-methyl-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-(1-adamantyl)-4-hydroxy-2-methylphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-(1-adamantyl)-4-hydroxy-2-methyl-phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

Isomeric SMILES

CC1=CC(=C(C=C1C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)O

InChI

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