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

Systemtic Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[bis(3,6-ditert-butyl-1-azulenyl)methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[bis(3,6-ditert-butylazulen-1-yl)methylene]cyclohexa-2,5-dien-1-one Formula: C43H50O MolecularWeight: 582.8565

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C43H50O/c1-40(2,3)28-15-21-31-33(23-17-28)37(42(7,8)9)25-35(31)39(27-13-19-30(44)20-14-27)36-26-38(43(10,11)12)34-24-18-29(41(4,5)6)16-22-32(34)36/h13-26H,1-12H3