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

Systemtic Name: 2-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]cyclopentane-1,3-dione Openeye Name: 2-[6-[4-(1-adamantylsulfanyl)phenyl]-2-naphthyl]cyclopentane-1,3-dione CAS Name: 2-[6-[4-(1-adamantylthio)phenyl]-2-naphthalenyl]cyclopentane-1,3-dione IUPAC Name: 2-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]cyclopentane-1,3-dione Traditional Name: 2-[6-[4-(1-adamantylthio)phenyl]-2-naphthyl]cyclopentane-1,3-quinone Formula: C31H30O2S MolecularWeight: 466.6337

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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)SC56CC7CC(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)SC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H30O2S/c32-28-9-10-29(33)30(28)26-4-3-24-14-23(1-2-25(24)15-26)22-5-7-27(8-6-22)34-31-16-19-11-20(17-31)13-21(12-19)18-31/h1-8,14-15,19-21,30H,9-13,16-18H2