2,2-dimethyl-5-(2-thiophen-2-yl-2-adamantyl)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(2-thiophen-2-yl-2-adamantyl)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[2-(2-thienyl)-2-adamantyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(2-thiophen-2-yl-2-adamantyl)-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(2-thiophen-2-yl-2-adamantyl)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[2-(2-thienyl)-2-adamantyl]-1,3-dioxane-4,6-quinone Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)C2(C3CC4CC(C3)CC2C4)C5=CC=CS5)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)C2(C3CC4CC(C3)CC2C4)C5=CC=CS5)C

InChI

InChI=1S/C20H24O4S/c1-19(2)23-17(21)16(18(22)24-19)20(15-4-3-5-25-15)13-7-11-6-12(9-13)10-14(20)8-11/h3-5,11-14,16H,6-10H2,1-2H3