diethyl 6-bromanyl-2-phenyl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-bromanyl-2-phenyl-azulene-1,3-dicarboxylate Openeye Name: diethyl 6-bromo-2-phenyl-azulene-1,3-dicarboxylate CAS Name: 6-bromo-2-phenylazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-bromo-2-phenylazulene-1,3-dicarboxylate Traditional Name: 6-bromo-2-phenyl-azulene-1,3-dicarboxylic acid diethyl ester Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1C3=CC=CC=C3)C(=O)OCC)Br

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1C3=CC=CC=C3)C(=O)OCC)Br

InChI

InChI=1S/C22H19BrO4/c1-3-26-21(24)19-16-12-10-15(23)11-13-17(16)20(22(25)27-4-2)18(19)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3