2-nitro-5-propan-2-yl-phenol; 3-propan-2-ylphenol

Systemtic Name: 2-nitro-5-propan-2-yl-phenol; 3-propan-2-ylphenol Openeye Name: 5-isopropyl-2-nitro-phenol; 3-isopropylphenol CAS Name: 2-nitro-5-propan-2-ylphenol; 3-propan-2-ylphenol IUPAC Name: 2-nitro-5-propan-2-ylphenol; 3-propan-2-ylphenol Traditional Name: 5-isopropyl-2-nitro-phenol; 3-isopropylphenol Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C9H12O/c1-6(2)7-3-4-8(10(12)13)9(11)5-7;1-7(2)8-4-3-5-9(10)6-8/h3-6,11H,1-2H3;3-7,10H,1-2H3