diethyl 2-chloranyl-4-naphthalen-1-yl-azulene-1,3-dicarboxylate

Systemtic Name: diethyl 2-chloranyl-4-naphthalen-1-yl-azulene-1,3-dicarboxylate Openeye Name: diethyl 2-chloro-4-(1-naphthyl)azulene-1,3-dicarboxylate CAS Name: 2-chloro-4-(1-naphthalenyl)azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-chloro-4-naphthalen-1-ylazulene-1,3-dicarboxylate Traditional Name: 2-chloro-4-(1-naphthyl)azulene-1,3-dicarboxylic acid diethyl ester Formula: C26H21ClO4 MolecularWeight: 432.89554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2C3=CC=CC4=CC=CC=C43)C(=O)OCC)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C1=CC=CC=C2C3=CC=CC4=CC=CC=C43)C(=O)OCC)Cl

InChI

InChI=1S/C26H21ClO4/c1-3-30-25(28)22-20-14-8-7-13-19(21(20)23(24(22)27)26(29)31-4-2)18-15-9-11-16-10-5-6-12-17(16)18/h5-15H,3-4H2,1-2H3