2,4-bis(2,4,4-trimethylpentan-2-yl)phenol; 2-nitroaniline

Systemtic Name: 2,4-bis(2,4,4-trimethylpentan-2-yl)phenol; 2-nitroaniline Openeye Name: 2,4-bis(1,1,3,3-tetramethylbutyl)phenol; 2-nitroaniline CAS Name: 2,4-bis(2,4,4-trimethylpentan-2-yl)phenol; 2-nitroaniline IUPAC Name: 2,4-bis(2,4,4-trimethylpentan-2-yl)phenol; 2-nitroaniline Traditional Name: 2,4-bis(1,1,3,3-tetramethylbutyl)phenol; (2-nitrophenyl)amine Formula: C28H44N2O3 MolecularWeight: 456.66056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O.C6H6N2O2/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6;7-5-3-1-2-4-6(5)8(9)10/h11-13,23H,14-15H2,1-10H3;1-4H,7H2