6-(1-adamantyl)-4-(3-methoxyphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 6-(1-adamantyl)-4-(3-methoxyphenyl)naphthalene-2-carboxylic acid Openeye Name: 6-(1-adamantyl)-4-(3-methoxyphenyl)naphthalene-2-carboxylic acid CAS Name: 6-(1-adamantyl)-4-(3-methoxyphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 6-(1-adamantyl)-4-(3-methoxyphenyl)naphthalene-2-carboxylic acid Traditional Name: 6-(1-adamantyl)-4-(3-methoxyphenyl)-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C3C=C(C=CC3=CC(=C2)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=C3C=C(C=CC3=CC(=C2)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

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