6-[6-chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-benzimidazol-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[6-chloranyl-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1H-benzimidazol-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[6-chloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-benzimidazol-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[6-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-benzimidazol-2-ylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[6-chloro-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-benzimidazol-2-ylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[6-chloro-3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1H-benzimidazol-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C28H31ClN2O3 MolecularWeight: 479.01034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C3=C(C=C(C=C3)Cl)NC2=C4C=C(C=CC4=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N2C3=C(C=C(C=C3)Cl)NC2=C4C=C(C=CC4=O)OC

InChI

InChI=1S/C28H31ClN2O3/c1-27(2,3)20-13-17(14-21(25(20)33)28(4,5)6)31-23-10-8-16(29)12-22(23)30-26(31)19-15-18(34-7)9-11-24(19)32/h8-15,30,33H,1-7H3