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

Systemtic Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate Openeye Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate CAS Name: 6-[bis(1-azulenyl)methyl]azulene-1,3-dicarboxylic acid diethyl ester hexafluorophosphate IUPAC Name: diethyl 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate Traditional Name: 6-[di(azulen-1-yl)methyl]azulene-1,3-dicarboxylic acid diethyl ester hexafluorophosphate Formula: C37H29F6O4P MolecularWeight: 682.58794

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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.F[P-](F)(F)(F)(F)F

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.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C37H29O4.F6P/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;1-7(2,3,4,5)6/h5-23H,3-4H2,1-2H3;/q+1;-1