diethyl 2,6-diphenylazulene-1,3-dicarboxylate

Systemtic Name: diethyl 2,6-diphenylazulene-1,3-dicarboxylate Openeye Name: diethyl 2,6-diphenylazulene-1,3-dicarboxylate CAS Name: 2,6-diphenylazulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-diphenylazulene-1,3-dicarboxylate Traditional Name: 2,6-diphenylazulene-1,3-dicarboxylic acid diethyl ester Formula: C28H24O4 MolecularWeight: 424.48776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C=CC(=CC=C2C(=C1C3=CC=CC=C3)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C28H24O4/c1-3-31-27(29)25-22-17-15-20(19-11-7-5-8-12-19)16-18-23(22)26(28(30)32-4-2)24(25)21-13-9-6-10-14-21/h5-18H,3-4H2,1-2H3