4-(4-tert-butyl-2-nitro-phenyl)benzoic acid

Systemtic Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoic acid Openeye Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoic acid CAS Name: 4-(4-tert-butyl-2-nitrophenyl)benzoic acid IUPAC Name: 4-(4-tert-butyl-2-nitrophenyl)benzoic acid Traditional Name: 4-(4-tert-butyl-2-nitro-phenyl)benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-17(2,3)13-8-9-14(15(10-13)18(21)22)11-4-6-12(7-5-11)16(19)20/h4-10H,1-3H3,(H,19,20)