4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-3-nitro-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-3-methyl-4-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-3-nitro-6-oxidanylidene-cyclohexa-1,4-dien-1-yl)-3-methyl-4-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-3-nitro-6-oxo-cyclohexa-1,4-dien-1-yl)-3-methyl-4-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-3-nitro-6-oxo-1-cyclohexa-1,4-dienyl)-3-methyl-4-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4,6-ditert-butyl-2-(3,5-ditert-butyl-2-methyl-3-nitro-6-oxocyclohexa-1,4-dien-1-yl)-3-methyl-4-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4,6-ditert-butyl-2-(3,5-ditert-butyl-6-keto-2-methyl-3-nitro-cyclohexa-1,4-dien-1-yl)-3-methyl-4-nitro-cyclohexa-2,5-dien-1-one Formula: C30H44N2O6 MolecularWeight: 528.68016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1(C(C)(C)C)[N+](=O)[O-])C(C)(C)C)C2=C(C(C=C(C2=O)C(C)(C)C)(C(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)C(=CC1(C(C)(C)C)[N+](=O)[O-])C(C)(C)C)C2=C(C(C=C(C2=O)C(C)(C)C)(C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C30H44N2O6/c1-17-21(23(33)19(25(3,4)5)15-29(17,31(35)36)27(9,10)11)22-18(2)30(32(37)38,28(12,13)14)16-20(24(22)34)26(6,7)8/h15-16H,1-14H3