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

Systemtic Name: 6-[3-(3-methyl-1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[4-hydroxy-3-(3-methyl-1-adamantyl)phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O

InChI

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