2-chloranyl-5-(4-chloranyl-3-sulfonato-phenyl)carbonyl-benzenesulfonate

Systemtic Name: 2-chloranyl-5-(4-chloranyl-3-sulfonato-phenyl)carbonyl-benzenesulfonate Openeye Name: 2-chloro-5-(4-chloro-3-sulfonato-benzoyl)benzenesulfonate CAS Name: 2-chloro-5-[(4-chloro-3-sulfonatophenyl)-oxomethyl]benzenesulfonate IUPAC Name: 2-chloro-5-(4-chloro-3-sulfonatobenzoyl)benzenesulfonate Traditional Name: 2-chloro-5-(4-chloro-3-sulfonato-benzoyl)besylate Formula: C13H6Cl2O7S2-2 MolecularWeight: 409.21854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl

InChI

InChI=1S/C13H8Cl2O7S2/c14-9-3-1-7(5-11(9)23(17,18)19)13(16)8-2-4-10(15)12(6-8)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)/p-2