2-(2,4-dichlorophenyl)carbonylpropane-1,3-disulfonic acid; sodium

Systemtic Name: 2-(2,4-dichlorophenyl)carbonylpropane-1,3-disulfonic acid; sodium Openeye Name: 2-(2,4-dichlorobenzoyl)propane-1,3-disulfonic acid; sodium CAS Name: 2-[(2,4-dichlorophenyl)-oxomethyl]propane-1,3-disulfonic acid; sodium IUPAC Name: 2-(2,4-dichlorobenzoyl)propane-1,3-disulfonic acid; sodium Traditional Name: 2-(2,4-dichlorobenzoyl)propane-1,3-disulfonic acid; sodium Formula: C10H10Cl2NaO7S2 MolecularWeight: 400.20797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)C(CS(=O)(=O)O)CS(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)C(CS(=O)(=O)O)CS(=O)(=O)O.[Na]

InChI

InChI=1S/C10H10Cl2O7S2.Na/c11-7-1-2-8(9(12)3-7)10(13)6(4-20(14,15)16)5-21(17,18)19;/h1-3,6H,4-5H2,(H,14,15,16)(H,17,18,19);