2-[1,3-bis(chloranyl)propan-2-yl]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[1,3-bis(chloranyl)propan-2-yl]-3,5-dinitro-benzoic acid Openeye Name: 2-[2-chloro-1-(chloromethyl)ethyl]-3,5-dinitro-benzoic acid CAS Name: 2-(1,3-dichloropropan-2-yl)-3,5-dinitrobenzoic acid IUPAC Name: 2-(1,3-dichloropropan-2-yl)-3,5-dinitrobenzoic acid Traditional Name: 2-[2-chloro-1-(chloromethyl)ethyl]-3,5-dinitro-benzoic acid Formula: C10H8Cl2N2O6 MolecularWeight: 323.08632

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C(CCl)CCl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C(CCl)CCl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8Cl2N2O6/c11-3-5(4-12)9-7(10(15)16)1-6(13(17)18)2-8(9)14(19)20/h1-2,5H,3-4H2,(H,15,16)