2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitro-cyclohexa-2,4-dien-1-yl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitro-cyclohexa-2,4-dien-1-yl]phenol Openeye Name: 2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitro-cyclohexa-2,4-dien-1-yl]phenol CAS Name: 2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitro-1-cyclohexa-2,4-dienyl]phenol IUPAC Name: 2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitrocyclohexa-2,4-dien-1-yl]phenol Traditional Name: 2,6-ditert-butyl-4-[5-(dimethylamino)-2,4,6-trinitro-cyclohexa-2,4-dien-1-yl]phenol Formula: C22H30N4O7 MolecularWeight: 462.4962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O7/c1-21(2,3)13-9-12(10-14(20(13)27)22(4,5)6)17-15(24(28)29)11-16(25(30)31)18(23(7)8)19(17)26(32)33/h9-11,17,19,27H,1-8H3