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

Systemtic Name: 4-[7-(1-adamantyl)-1-(6-oxidanylheptoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-1-(6-hydroxyheptoxy)-2-naphthyl]benzoic acid Formula: C34H40O4 MolecularWeight: 512.679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C34H40O4/c1-22(35)5-3-2-4-14-38-32-30(26-6-8-28(9-7-26)33(36)37)13-11-27-10-12-29(18-31(27)32)34-19-23-15-24(20-34)17-25(16-23)21-34/h6-13,18,22-25,35H,2-5,14-17,19-21H2,1H3,(H,36,37)