4-bromanyl-2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: 4-bromanyl-2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 4-bromo-2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 4-bromo-2-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 4-bromo-2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 4-bromo-2-[(E)-3-(3,4-dichlorophenyl)acryloyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C16H8BrCl2O3- MolecularWeight: 399.04292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)C2=C(C(=O)C=CC(=C2)Br)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)[O-])Cl)Cl

InChI

InChI=1S/C16H9BrCl2O3/c17-10-3-6-15(21)16(22)11(8-10)14(20)5-2-9-1-4-12(18)13(19)7-9/h1-8H,(H,21,22)/p-1/b5-2+