[7-(1-adamantyl)-1-(6-methoxyhexoxy)naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-1-(6-methoxyhexoxy)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-1-(6-methoxyhexoxy)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-1-(6-methoxyhexoxy)-2-naphthyl] ester Formula: C34H40O4 MolecularWeight: 512.679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COCCCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H40O4/c1-36-15-7-2-3-8-16-37-32-30-20-29(34-21-24-17-25(22-34)19-26(18-24)23-34)13-11-27(30)12-14-31(32)38-33(35)28-9-5-4-6-10-28/h4-6,9-14,20,24-26H,2-3,7-8,15-19,21-23H2,1H3