6-[2,6-bis(2,4-ditert-butylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[2,6-bis(2,4-ditert-butylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2,6-bis(2,4-ditert-butylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2,6-bis(2,4-ditert-butylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-octoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2,6-bis(2,4-ditert-butylphenyl)-1H-1,3,5-triazin-4-ylidene]-3-octoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2,6-bis(2,4-ditert-butylphenyl)-1H-s-triazin-4-ylidene]-3-octoxy-cyclohexa-2,4-dien-1-one Formula: C45H63N3O2 MolecularWeight: 678.00062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=O)C(=C2N=C(NC(=N2)C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC(=O)C(=C2N=C(NC(=N2)C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C=C1

InChI

InChI=1S/C45H63N3O2/c1-14-15-16-17-18-19-26-50-32-22-25-35(38(49)29-32)41-47-39(33-23-20-30(42(2,3)4)27-36(33)44(8,9)10)46-40(48-41)34-24-21-31(43(5,6)7)28-37(34)45(11,12)13/h20-25,27-29H,14-19,26H2,1-13H3,(H,46,47,48)