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

Systemtic Name: [7-(1-adamantyl)-1-(6-oxidanylhexoxy)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-1-(6-hydroxyhexoxy)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-1-(6-hydroxyhexoxy)-2-naphthyl] ester 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)OC(=O)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C33H38O4/c34-14-6-1-2-7-15-36-31-29-19-28(33-20-23-16-24(21-33)18-25(17-23)22-33)12-10-26(29)11-13-30(31)37-32(35)27-8-4-3-5-9-27/h3-5,8-13,19,23-25,34H,1-2,6-7,14-18,20-22H2