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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C4C(=O)CCCC4=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C4C(=O)CCCC4=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H34O3/c1-36-31-10-9-26(16-28(31)33-17-20-11-21(18-33)13-22(12-20)19-33)24-5-6-25-15-27(8-7-23(25)14-24)32-29(34)3-2-4-30(32)35/h5-10,14-16,20-22,32H,2-4,11-13,17-19H2,1H3