4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthyl]-2-hydroxy-benzoic acid CAS Name: 4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthalenyl]-2-hydroxybenzoic acid IUPAC Name: 4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)naphthalen-2-yl]-2-hydroxybenzoic acid Traditional Name: 4-[7-(2-adamantyl)-6-(2-methoxyethoxymethoxy)-2-naphthyl]-2-hydroxy-benzoic acid Formula: C31H34O6 MolecularWeight: 502.59806

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

COCCOCOC1=C(C=C2C=C(C=CC2=C1)C3=CC(=C(C=C3)C(=O)O)O)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H34O6/c1-35-6-7-36-17-37-29-16-22-3-2-20(21-4-5-26(31(33)34)28(32)15-21)13-23(22)14-27(29)30-24-9-18-8-19(11-24)12-25(30)10-18/h2-5,13-16,18-19,24-25,30,32H,6-12,17H2,1H3,(H,33,34)