1-(2-methylpropyl)-2-nitro-4-propan-2-yl-benzene; 1-(2-methylpropyl)-4-propan-2-yl-benzene

Systemtic Name: 1-(2-methylpropyl)-2-nitro-4-propan-2-yl-benzene; 1-(2-methylpropyl)-4-propan-2-yl-benzene Openeye Name: 1-isobutyl-4-isopropyl-benzene; 1-isobutyl-4-isopropyl-2-nitro-benzene CAS Name: 1-(2-methylpropyl)-2-nitro-4-propan-2-ylbenzene; 1-(2-methylpropyl)-4-propan-2-ylbenzene IUPAC Name: 1-(2-methylpropyl)-2-nitro-4-propan-2-ylbenzene; 1-(2-methylpropyl)-4-propan-2-ylbenzene Traditional Name: 1-isobutyl-4-isopropyl-benzene; 1-isobutyl-4-isopropyl-2-nitro-benzene Formula: C26H39NO2 MolecularWeight: 397.59336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C.CC(C)CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C.CC(C)CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H19NO2.C13H20/c1-9(2)7-12-6-5-11(10(3)4)8-13(12)14(15)16;1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5-6,8-10H,7H2,1-4H3;5-8,10-11H,9H2,1-4H3