6-[5-(1-adamantyl)-2-methoxy-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[5-(1-adamantyl)-2-methoxy-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[5-(1-adamantyl)-2-methoxy-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[5-(1-adamantyl)-2-methoxyphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[5-(1-adamantyl)-2-methoxyphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[5-(1-adamantyl)-2-methoxy-phenyl]-2-naphthoic acid Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O

InChI

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