[7-(1-adamantyl)-6-(3-oxidanylpropyl)naphthalen-2-yl] benzoate

Systemtic Name: [7-(1-adamantyl)-6-(3-oxidanylpropyl)naphthalen-2-yl] benzoate Openeye Name: [7-(1-adamantyl)-6-(3-hydroxypropyl)-2-naphthyl] benzoate CAS Name: benzoic acid [7-(1-adamantyl)-6-(3-hydroxypropyl)-2-naphthalenyl] ester IUPAC Name: [7-(1-adamantyl)-6-(3-hydroxypropyl)naphthalen-2-yl] benzoate Traditional Name: benzoic acid [7-(1-adamantyl)-6-(3-hydroxypropyl)-2-naphthyl] ester Formula: C30H32O3 MolecularWeight: 440.57328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)OC(=O)C6=CC=CC=C6)CCCO

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C5C=CC(=CC5=C4)OC(=O)C6=CC=CC=C6)CCCO

InChI

InChI=1S/C30H32O3/c31-10-4-7-25-14-24-8-9-27(33-29(32)23-5-2-1-3-6-23)15-26(24)16-28(25)30-17-20-11-21(18-30)13-22(12-20)19-30/h1-3,5-6,8-9,14-16,20-22,31H,4,7,10-13,17-19H2