4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]benzoic acid Formula: C31H34O5 MolecularWeight: 486.59866

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(OC)OCOC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34O5/c1-19(34-2)35-18-36-29-14-26-8-7-25(23-3-5-24(6-4-23)30(32)33)12-27(26)13-28(29)31-15-20-9-21(16-31)11-22(10-20)17-31/h3-8,12-14,19-22H,9-11,15-18H2,1-2H3,(H,32,33)