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

Systemtic Name: 4-[7-(1-adamantyl)-1-(6-oxidanyloctoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-1-(6-hydroxyoctoxy)-2-naphthyl]benzoic acid Formula: C35H42O4 MolecularWeight: 526.70558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)O)O

Isomeric SMILES

CCC(CCCCCOC1=C(C=CC2=C1C=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)C(=O)O)O

InChI

InChI=1S/C35H42O4/c1-2-30(36)6-4-3-5-15-39-33-31(26-7-9-28(10-8-26)34(37)38)14-12-27-11-13-29(19-32(27)33)35-20-23-16-24(21-35)18-25(17-23)22-35/h7-14,19,23-25,30,36H,2-6,15-18,20-22H2,1H3,(H,37,38)