2,6-bis(2-methylpentan-2-yl)-4-(2-nitropropyl)phenol

Systemtic Name: 2,6-bis(2-methylpentan-2-yl)-4-(2-nitropropyl)phenol Openeye Name: 2,6-bis(1,1-dimethylbutyl)-4-(2-nitropropyl)phenol CAS Name: 2,6-bis(2-methylpentan-2-yl)-4-(2-nitropropyl)phenol IUPAC Name: 2,6-bis(2-methylpentan-2-yl)-4-(2-nitropropyl)phenol Traditional Name: 2,6-bis(1,1-dimethylbutyl)-4-(2-nitropropyl)phenol Formula: C21H35NO3 MolecularWeight: 349.5075

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CC(C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(C)C1=CC(=CC(=C1O)C(C)(C)CCC)CC(C)[N+](=O)[O-]

InChI

InChI=1S/C21H35NO3/c1-8-10-20(4,5)17-13-16(12-15(3)22(24)25)14-18(19(17)23)21(6,7)11-9-2/h13-15,23H,8-12H2,1-7H3