3-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; propylazanium

Systemtic Name: 3-[2,4-bis(chloranyl)phenoxy]-2-nitro-benzoate; propylazanium Openeye Name: 3-(2,4-dichlorophenoxy)-2-nitro-benzoate; propylammonium CAS Name: 3-(2,4-dichlorophenoxy)-2-nitrobenzoate; propylammonium IUPAC Name: 3-(2,4-dichlorophenoxy)-2-nitrobenzoate; propylazanium Traditional Name: 3-(2,4-dichlorophenoxy)-2-nitro-benzoate; propylammonium Formula: C16H16Cl2N2O5 MolecularWeight: 387.21464

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH3+].C1=CC(=C(C(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[NH3+].C1=CC(=C(C(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H7Cl2NO5.C3H9N/c14-7-4-5-10(9(15)6-7)21-11-3-1-2-8(13(17)18)12(11)16(19)20;1-2-3-4/h1-6H,(H,17,18);2-4H2,1H3