3-(1-adamantyl)-1-(4-carboxyphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-1-(4-carboxyphenyl)naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-(4-carboxyphenyl)naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-(4-carboxyphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-(4-carboxyphenyl)naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-(4-carboxyphenyl)-2-naphthoic acid Formula: C28H26O4 MolecularWeight: 426.50364

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=CC=CC=C5C(=C4C(=O)O)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C28H26O4/c29-26(30)20-7-5-19(6-8-20)24-22-4-2-1-3-21(22)12-23(25(24)27(31)32)28-13-16-9-17(14-28)11-18(10-16)15-28/h1-8,12,16-18H,9-11,13-15H2,(H,29,30)(H,31,32)