4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3-bis(chloranyl)-4-oxidanyl-cyclobut-2-en-1-one

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2,3-bis(chloranyl)-4-oxidanyl-cyclobut-2-en-1-one Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethyl]-2,3-dichloro-4-hydroxy-cyclobut-2-en-1-one CAS Name: 4-[2-(1-adamantyl)-2-oxoethyl]-2,3-dichloro-4-hydroxy-1-cyclobut-2-enone IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethyl]-2,3-dichloro-4-hydroxycyclobut-2-en-1-one Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethyl]-2,3-dichloro-4-hydroxy-cyclobut-2-en-1-one Formula: C16H18Cl2O3 MolecularWeight: 329.21832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=C(C4=O)Cl)Cl)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CC4(C(=C(C4=O)Cl)Cl)O

InChI

InChI=1S/C16H18Cl2O3/c17-12-13(18)16(21,14(12)20)7-11(19)15-4-8-1-9(5-15)3-10(2-8)6-15/h8-10,21H,1-7H2