2,6-ditert-butyl-4-[5,6-dimethoxy-2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate

Systemtic Name: 2,6-ditert-butyl-4-[5,6-dimethoxy-2-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate Openeye Name: 2,6-ditert-butyl-4-[5,6-dimethoxy-2-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate CAS Name: 2,6-ditert-butyl-4-[5,6-dimethoxy-2-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)-3H-benzimidazol-1-yl]phenolate IUPAC Name: 2,6-ditert-butyl-4-[5,6-dimethoxy-2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-3H-benzimidazol-1-yl]phenolate Traditional Name: 2,6-ditert-butyl-4-[2-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)-5,6-dimethoxy-3H-benzimidazol-1-yl]phenolate Formula: C29H32N3O6- MolecularWeight: 518.58088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)N2C3=CC(=C(C=C3NC2=C4C=C(C=CC4=O)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1[O-])C(C)(C)C)N2C3=CC(=C(C=C3NC2=C4C=C(C=CC4=O)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C29H33N3O6/c1-28(2,3)19-12-17(13-20(26(19)34)29(4,5)6)31-22-15-25(38-8)24(37-7)14-21(22)30-27(31)18-11-16(32(35)36)9-10-23(18)33/h9-15,30,34H,1-8H3/p-1