4-tert-butylbenzoic acid; nitrobenzene

Systemtic Name: 4-tert-butylbenzoic acid; nitrobenzene Openeye Name: 4-tert-butylbenzoic acid; nitrobenzene CAS Name: 4-tert-butylbenzoic acid; nitrobenzene IUPAC Name: 4-tert-butylbenzoic acid; nitrobenzene Traditional Name: 4-tert-butylbenzoic acid; nitrobenzene Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2.C6H5NO2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13;8-7(9)6-4-2-1-3-5-6/h4-7H,1-3H3,(H,12,13);1-5H