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

Systemtic Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxidanylidene-pentan-2-yl)oxy-naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(1-ethoxycarbonylbutoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxopentan-2-yl)oxy-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(1-ethoxy-1-oxopentan-2-yl)oxynaphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(1-carbethoxybutoxy)-2-naphthyl]benzoic acid Formula: C34H38O5 MolecularWeight: 526.66252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(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

CCCC(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/C34H38O5/c1-3-5-30(33(37)38-4-2)39-31-17-27-11-10-26(24-6-8-25(9-7-24)32(35)36)15-28(27)16-29(31)34-18-21-12-22(19-34)14-23(13-21)20-34/h6-11,15-17,21-23,30H,3-5,12-14,18-20H2,1-2H3,(H,35,36)