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

Systemtic Name: 2-[6-[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl]naphthalen-2-yl]cyclopentane-1,3-dione Openeye Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]cyclopentane-1,3-dione CAS Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthalenyl]cyclopentane-1,3-dione IUPAC Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalen-2-yl]cyclopentane-1,3-dione Traditional Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]cyclopentane-1,3-quinone Formula: C34H36O3 MolecularWeight: 492.64784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H36O3/c35-11-1-2-24-3-4-28(17-30(24)34-18-21-12-22(19-34)14-23(13-21)20-34)26-5-6-27-16-29(8-7-25(27)15-26)33-31(36)9-10-32(33)37/h3-8,15-17,21-23,33,35H,1-2,9-14,18-20H2