2-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]indene-1,3-dione

Systemtic Name: 2-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]indene-1,3-dione Openeye Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]indane-1,3-dione CAS Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]indene-1,3-dione IUPAC Name: 2-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]indene-1,3-dione Traditional Name: 2-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)indane-1,3-quinone Formula: C21H15BrO4 MolecularWeight: 411.2454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C

InChI

InChI=1S/C21H15BrO4/c1-3-9-26-21-17(22)11-13(12-18(21)25-4-2)10-16-19(23)14-7-5-6-8-15(14)20(16)24/h1,5-8,10-12H,4,9H2,2H3