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

Systemtic Name: 2-[6-[3-(1-adamantyl)-4-(3-oxidanylpropyl)phenyl]naphthalen-2-yl]cyclohexane-1,3-dione Openeye Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]cyclohexane-1,3-dione CAS Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthalenyl]cyclohexane-1,3-dione IUPAC Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalen-2-yl]cyclohexane-1,3-dione Traditional Name: 2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]-2-naphthyl]cyclohexane-1,3-quinone Formula: C35H38O3 MolecularWeight: 506.67442

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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)CCCO)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)CCCO)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H38O3/c36-12-2-3-25-6-7-29(18-31(25)35-19-22-13-23(20-35)15-24(14-22)21-35)27-8-9-28-17-30(11-10-26(28)16-27)34-32(37)4-1-5-33(34)38/h6-11,16-18,22-24,34,36H,1-5,12-15,19-21H2