2-oxidanylbutyl 4,4-bis(chloranyl)-2-(3,5-dinitrophenyl)hexane-1-sulfonate

Systemtic Name: 2-oxidanylbutyl 4,4-bis(chloranyl)-2-(3,5-dinitrophenyl)hexane-1-sulfonate Openeye Name: 2-hydroxybutyl 4,4-dichloro-2-(3,5-dinitrophenyl)hexane-1-sulfonate CAS Name: 4,4-dichloro-2-(3,5-dinitrophenyl)-1-hexanesulfonic acid IUPAC Name: 2-hydroxybutyl 4,4-dichloro-2-(3,5-dinitrophenyl)hexane-1-sulfonate Traditional Name: 4,4-dichloro-2-(3,5-dinitrophenyl)hexane-1-sulfonic acid 2-hydroxybutyl ester Formula: C16H22Cl2N2O8S MolecularWeight: 473.32548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22Cl2N2O8S/c1-3-15(21)9-28-29(26,27)10-12(8-16(17,18)4-2)11-5-13(19(22)23)7-14(6-11)20(24)25/h5-7,12,15,21H,3-4,8-10H2,1-2H3