hexyl 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoate

Systemtic Name: hexyl 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoate Openeye Name: hexyl 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthalenyl]benzoic acid hexyl ester IUPAC Name: hexyl 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-(1-methoxyethoxymethoxy)-2-naphthyl]benzoic acid hexyl ester Formula: C37H46O5 MolecularWeight: 570.75814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCOC(C)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCOC(C)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C37H46O5/c1-4-5-6-7-14-40-36(38)30-10-8-29(9-11-30)31-12-13-32-20-35(42-24-41-25(2)39-3)34(19-33(32)18-31)37-21-26-15-27(22-37)17-28(16-26)23-37/h8-13,18-20,25-28H,4-7,14-17,21-24H2,1-3H3