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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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