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

Systemtic Name: 4-[7-(1-adamantyl)-1-(6-oxidanylhexoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-1-(6-hydroxyhexoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthyl]benzoic acid Formula: C33H38O4 MolecularWeight: 498.65242

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C=CC(=C5OCCCCCCO)C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)C=CC(=C5OCCCCCCO)C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C33H38O4/c34-13-3-1-2-4-14-37-31-29(25-5-7-27(8-6-25)32(35)36)12-10-26-9-11-28(18-30(26)31)33-19-22-15-23(20-33)17-24(16-22)21-33/h5-12,18,22-24,34H,1-4,13-17,19-21H2,(H,35,36)