3-azanyl-2,5-bis(chloranyl)benzoic acid; 2-butan-2-yl-4,6-dinitro-phenol

Systemtic Name: 3-azanyl-2,5-bis(chloranyl)benzoic acid; 2-butan-2-yl-4,6-dinitro-phenol Openeye Name: 3-amino-2,5-dichloro-benzoic acid; 2,4-dinitro-6-sec-butyl-phenol CAS Name: 3-amino-2,5-dichlorobenzoic acid; 2-butan-2-yl-4,6-dinitrophenol IUPAC Name: 3-amino-2,5-dichlorobenzoic acid; 2-butan-2-yl-4,6-dinitrophenol Traditional Name: 3-amino-2,5-dichloro-benzoic acid; 2,4-dinitro-6-sec-butyl-phenol Formula: C17H17Cl2N3O7 MolecularWeight: 446.23878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1N)Cl)C(=O)O)Cl

InChI

InChI=1S/C10H12N2O5.C7H5Cl2NO2/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;8-3-1-4(7(11)12)6(9)5(10)2-3/h4-6,13H,3H2,1-2H3;1-2H,10H2,(H,11,12)