4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-phenyl-ethylidene]-1,3-dithietane-2-carboxylic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-1-phenyl-ethylidene]-1,3-dithietane-2-carboxylic acid Openeye Name: 4-(2-tert-butoxy-2-oxo-1-phenyl-ethylidene)-1,3-dithietane-2-carboxylic acid CAS Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethylidene]-1,3-dithietane-2-carboxylic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-phenylethylidene]-1,3-dithietane-2-carboxylic acid Traditional Name: 4-(2-tert-butoxy-2-keto-1-phenyl-ethylidene)-1,3-dithietane-2-carboxylic acid Formula: C15H16O4S2 MolecularWeight: 324.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1SC(S1)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(=C1SC(S1)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C15H16O4S2/c1-15(2,3)19-12(18)10(9-7-5-4-6-8-9)13-20-14(21-13)11(16)17/h4-8,14H,1-3H3,(H,16,17)