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

Systemtic Name: 2-(3,4-dichlorophenyl)carbonylpropane-1,3-disulfonic acid Openeye Name: 2-(3,4-dichlorobenzoyl)propane-1,3-disulfonic acid CAS Name: 2-[(3,4-dichlorophenyl)-oxomethyl]propane-1,3-disulfonic acid IUPAC Name: 2-(3,4-dichlorobenzoyl)propane-1,3-disulfonic acid Traditional Name: 2-(3,4-dichlorobenzoyl)propane-1,3-disulfonic acid Formula: C10H10Cl2O7S2 MolecularWeight: 377.2182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C(CS(=O)(=O)O)CS(=O)(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C(CS(=O)(=O)O)CS(=O)(=O)O)Cl)Cl

InChI

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