5-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[6-[4-(1-adamantylsulfanyl)phenyl]-2-naphthyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[6-[4-(1-adamantylthio)phenyl]-2-naphthalenyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[6-[4-(1-adamantylsulfanyl)phenyl]naphthalen-2-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[6-[4-(1-adamantylthio)phenyl]-2-naphthyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C32H32O4S MolecularWeight: 512.65908

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)SC56CC7CC(C5)CC(C7)C6)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C2=CC3=C(C=C2)C=C(C=C3)C4=CC=C(C=C4)SC56CC7CC(C5)CC(C7)C6)C

InChI

InChI=1S/C32H32O4S/c1-31(2)35-29(33)28(30(34)36-31)26-6-5-24-14-23(3-4-25(24)15-26)22-7-9-27(10-8-22)37-32-16-19-11-20(17-32)13-21(12-19)18-32/h3-10,14-15,19-21,28H,11-13,16-18H2,1-2H3