ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyano-ethanoate Openeye Name: ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyano-acetate CAS Name: 2-[2,3-bis(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)cyclopropylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2,3-bis(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyanoacetate Traditional Name: 2-[2,3-bis(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)cyclopropylidene]-2-cyano-acetic acid ethyl ester Formula: C36H45NO4 MolecularWeight: 555.7468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C#N

Isomeric SMILES

CCOC(=O)C(=C1C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C1=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C#N

InChI

InChI=1S/C36H45NO4/c1-14-41-32(40)22(19-37)29-27(20-15-23(33(2,3)4)30(38)24(16-20)34(5,6)7)28(29)21-17-25(35(8,9)10)31(39)26(18-21)36(11,12)13/h15-18H,14H2,1-13H3