dimethyl 5-ethyl-6-phenyl-azulene-1,2-dicarboxylate

Systemtic Name: dimethyl 5-ethyl-6-phenyl-azulene-1,2-dicarboxylate Openeye Name: dimethyl 5-ethyl-6-phenyl-azulene-1,2-dicarboxylate CAS Name: 5-ethyl-6-phenylazulene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-ethyl-6-phenylazulene-1,2-dicarboxylate Traditional Name: 5-ethyl-6-phenyl-azulene-1,2-dicarboxylic acid dimethyl ester Formula: C22H20O4 MolecularWeight: 348.3918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C(C(=CC2=C1)C(=O)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C=CC2=C(C(=CC2=C1)C(=O)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H20O4/c1-4-14-12-16-13-19(21(23)25-2)20(22(24)26-3)18(16)11-10-17(14)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3