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

Systemtic Name: potassium diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methylidene]azulene-1,3-dicarboxylate Openeye Name: potassium diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methylene]azulene-1,3-dicarboxylate CAS Name: potassium 6-[bis(3,6-ditert-butyl-1-azulenyl)methylidene]azulene-1,3-dicarboxylic acid diethyl ester IUPAC Name: potassium diethyl 6-[bis(3,6-ditert-butylazulen-1-yl)methylidene]azulene-1,3-dicarboxylate Traditional Name: potassium 6-[bis(3,6-ditert-butylazulen-1-yl)methylene]azulene-1,3-dicarboxylic acid diethyl ester Formula: C53H61KO4+ MolecularWeight: 801.14734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[C]1[CH][C]([C]2[C]1C=CC(=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=C2)C(=O)OCC.[K+]

Isomeric SMILES

CCOC(=O)[C]1[CH][C]([C]2[C]1C=CC(=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=C2)C(=O)OCC.[K+]

InChI

InChI=1S/C53H61O4.K/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;/h17-31H,15-16H2,1-14H3;/q;+1