diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate Openeye Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate CAS Name: 6-[bis(1-azulenyl)methyl]azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate Traditional Name: 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylic acid diethyl ester Formula: C37H30O4 MolecularWeight: 538.6317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C(C3=C4C=CC=CC=C4C=C3)C5=C6C=CC=CC=C6C=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)C(C3=C4C=CC=CC=C4C=C3)C5=C6C=CC=CC=C6C=C5)C(=O)OCC

InChI

InChI=1S/C37H30O4/c1-3-40-36(38)33-23-34(37(39)41-4-2)30-20-18-26(17-19-29(30)33)35(31-21-15-24-11-7-5-9-13-27(24)31)32-22-16-25-12-8-6-10-14-28(25)32/h5-23,35H,3-4H2,1-2H3