1-(4-chloranyl-3,5-dinitro-phenyl)propane-1-sulfinic acid

Systemtic Name: 1-(4-chloranyl-3,5-dinitro-phenyl)propane-1-sulfinic acid Openeye Name: 1-(4-chloro-3,5-dinitro-phenyl)propane-1-sulfinic acid CAS Name: 1-(4-chloro-3,5-dinitrophenyl)-1-propanesulfinic acid IUPAC Name: 1-(4-chloro-3,5-dinitrophenyl)propane-1-sulfinic acid Traditional Name: 1-(4-chloro-3,5-dinitro-phenyl)propane-1-sulfinic acid Formula: C9H9ClN2O6S MolecularWeight: 308.69556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-])S(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-])S(=O)O

InChI

InChI=1S/C9H9ClN2O6S/c1-2-8(19(17)18)5-3-6(11(13)14)9(10)7(4-5)12(15)16/h3-4,8H,2H2,1H3,(H,17,18)