5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C17H15BrO6 MolecularWeight: 395.2014

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C(=C2)Br)OCC#C)OC)C(=O)O1)C

InChI

InChI=1S/C17H15BrO6/c1-5-6-22-14-12(18)8-10(9-13(14)21-4)7-11-15(19)23-17(2,3)24-16(11)20/h1,7-9H,6H2,2-4H3