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

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-methoxybutoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-methoxybutoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-methoxybutoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-methoxybutoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-methoxybutoxy)-2-naphthyl]benzoic acid Formula: C32H36O4 MolecularWeight: 484.62584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(OC)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCC(OC)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C32H36O4/c1-3-4-30(35-2)36-29-16-26-10-9-25(23-5-7-24(8-6-23)31(33)34)14-27(26)15-28(29)32-17-20-11-21(18-32)13-22(12-20)19-32/h5-10,14-16,20-22,30H,3-4,11-13,17-19H2,1-2H3,(H,33,34)