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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H42O4/c1-2-30(36)11-7-4-8-16-38-33-31-20-29(35-21-24-17-25(22-35)19-26(18-24)23-35)14-12-27(31)13-15-32(33)39-34(37)28-9-5-3-6-10-28/h3,5-6,9-10,12-15,20,24-26,30,36H,2,4,7-8,11,16-19,21-23H2,1H3