diethyl 6-bromanyl-4-phenyl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-bromanyl-4-phenyl-azulene-1,3-dicarboxylate Openeye Name: diethyl 6-bromo-4-phenyl-azulene-1,3-dicarboxylate CAS Name: 6-bromo-4-phenylazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-bromo-4-phenylazulene-1,3-dicarboxylate Traditional Name: 6-bromo-4-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=CC(=C2C1=C(C=C(C=C2)Br)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=C(C=C(C=C2)Br)C3=CC=CC=C3)C(=O)OCC

InChI

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