4-tert-butyl-2-nitro-1-propan-2-yl-benzene; 1-tert-butyl-4-propan-2-yl-benzene

Systemtic Name: 4-tert-butyl-2-nitro-1-propan-2-yl-benzene; 1-tert-butyl-4-propan-2-yl-benzene Openeye Name: 1-tert-butyl-4-isopropyl-benzene; 4-tert-butyl-1-isopropyl-2-nitro-benzene CAS Name: 4-tert-butyl-2-nitro-1-propan-2-ylbenzene; 1-tert-butyl-4-propan-2-ylbenzene IUPAC Name: 4-tert-butyl-2-nitro-1-propan-2-ylbenzene; 1-tert-butyl-4-propan-2-ylbenzene Traditional Name: 1-tert-butyl-4-isopropyl-benzene; 4-tert-butyl-1-isopropyl-2-nitro-benzene Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)(C)C.CC(C)C1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)(C)C.CC(C)C1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C13H20/c1-9(2)11-7-6-10(13(3,4)5)8-12(11)14(15)16;1-10(2)11-6-8-12(9-7-11)13(3,4)5/h6-9H,1-5H3;6-10H,1-5H3