4-[bis(3,6-ditert-butylazulen-1-yl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylidene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[bis(3,6-ditert-butyl-1-azulenyl)methylidene]-2,6-ditert-butyl-1-cyclohexa-2,5-dienone IUPAC Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one Traditional Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylene]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one Formula: C51H66O MolecularWeight: 695.06914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C51H66O/c1-46(2,3)32-19-23-34-36(25-21-32)40(48(7,8)9)29-38(34)44(31-27-42(50(13,14)15)45(52)43(28-31)51(16,17)18)39-30-41(49(10,11)12)37-26-22-33(47(4,5)6)20-24-35(37)39/h19-30H,1-18H3