2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]cyclohexane-1,3-dione

Systemtic Name: 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]cyclohexane-1,3-dione Openeye Name: 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthyl]cyclohexane-1,3-dione CAS Name: 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]-2-naphthalenyl]cyclohexane-1,3-dione IUPAC Name: 2-[6-[3-(1-adamantyl)-4-(hydroxymethyl)phenyl]naphthalen-2-yl]cyclohexane-1,3-dione Traditional Name: 2-[6-[3-(1-adamantyl)-4-methylol-phenyl]-2-naphthyl]cyclohexane-1,3-quinone Formula: C33H34O3 MolecularWeight: 478.62126

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=CC3=C(C=C2)C=C(C=C3)C4=CC(=C(C=C4)CO)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=CC3=C(C=C2)C=C(C=C3)C4=CC(=C(C=C4)CO)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H34O3/c34-19-28-9-7-26(15-29(28)33-16-20-10-21(17-33)12-22(11-20)18-33)24-4-5-25-14-27(8-6-23(25)13-24)32-30(35)2-1-3-31(32)36/h4-9,13-15,20-22,32,34H,1-3,10-12,16-19H2