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diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate

diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate

Systemtic Name:diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate
Openeye Name:diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate
CAS Name:6-[bis(3,6-ditert-butyl-1-azulenyl)methyl]azulene-1,3-dicarboxylic acid diethyl ester hexafluorophosphate
IUPAC Name:diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylate hexafluorophosphate
Traditional Name:6-[bis(3,6-ditert-butylazulen-1-yl)methyl]azulene-1,3-dicarboxylic acid diethyl ester hexafluorophosphate
Formula: C53H61F6O4P
MolecularWeight: 907.01322
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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)C(C)(C)C)C(C)(C)C)C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)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)C(C)(C)C)C(C)(C)C)C5=C6C=CC(=CC=C6C(=C5)C(C)(C)C)C(C)(C)C)C(=O)OCC.F[P-](F)(F)(F)(F)F


InChI

InChI=1S/C53H61O4.F6P/c1-15-56-48(54)43-29-44(49(55)57-16-2)36-24-18-32(17-23-35(36)43)47(41-30-45(52(9,10)11)39-27-21-33(50(3,4)5)19-25-37(39)41)42-31-46(53(12,13)14)40-28-22-34(51(6,7)8)20-26-38(40)42;1-7(2,3,4,5)6/h17-31H,15-16H2,1-14H3;/q+1;-1


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