4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxidanylidene-hexan-2-yl)oxy-naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxidanylidene-hexan-2-yl)oxy-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-ethoxycarbonylpentoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxohexan-2-yl)oxy-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxohexan-2-yl)oxynaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-carbethoxypentoxy)-2-naphthyl]benzoic acid Formula: C35H40O5 MolecularWeight: 540.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCC(C(=O)OCC)OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H40O5/c1-3-5-6-31(34(38)39-4-2)40-32-18-28-12-11-27(25-7-9-26(10-8-25)33(36)37)16-29(28)17-30(32)35-19-22-13-23(20-35)15-24(14-22)21-35/h7-12,16-18,22-24,31H,3-6,13-15,19-21H2,1-2H3,(H,36,37)