diethyl 6-[3-[1,3-bis(ethoxycarbonyl)azulen-6-yl]-5-butyl-phenyl]azulene-1,3-dicarboxylate

Systemtic Name: diethyl 6-[3-[1,3-bis(ethoxycarbonyl)azulen-6-yl]-5-butyl-phenyl]azulene-1,3-dicarboxylate Openeye Name: diethyl 6-[3-[1,3-bis(ethoxycarbonyl)azulen-6-yl]-5-butyl-phenyl]azulene-1,3-dicarboxylate CAS Name: 6-[3-[1,3-bis(ethoxycarbonyl)-6-azulenyl]-5-butylphenyl]azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-[3-[1,3-bis(ethoxycarbonyl)azulen-6-yl]-5-butylphenyl]azulene-1,3-dicarboxylate Traditional Name: 6-[3-butyl-5-(1,3-dicarbethoxyazulen-6-yl)phenyl]azulene-1,3-dicarboxylic acid diethyl ester Formula: C42H42O8 MolecularWeight: 674.77808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1)C2=CC=C3C(=C(C=C3C(=O)OCC)C(=O)OCC)C=C2)C4=CC=C5C(=C(C=C5C(=O)OCC)C(=O)OCC)C=C4

Isomeric SMILES

CCCCC1=CC(=CC(=C1)C2=CC=C3C(=C(C=C3C(=O)OCC)C(=O)OCC)C=C2)C4=CC=C5C(=C(C=C5C(=O)OCC)C(=O)OCC)C=C4

InChI

InChI=1S/C42H42O8/c1-6-11-12-26-21-29(27-13-17-31-32(18-14-27)36(40(44)48-8-3)24-35(31)39(43)47-7-2)23-30(22-26)28-15-19-33-34(20-16-28)38(42(46)50-10-5)25-37(33)41(45)49-9-4/h13-25H,6-12H2,1-5H3