2-chloranyl-5-[(4-chloranyl-3-sulfonato-phenyl)methyl]benzenesulfonate

Systemtic Name: 2-chloranyl-5-[(4-chloranyl-3-sulfonato-phenyl)methyl]benzenesulfonate Openeye Name: 2-chloro-5-[(4-chloro-3-sulfonato-phenyl)methyl]benzenesulfonate CAS Name: 2-chloro-5-[(4-chloro-3-sulfonatophenyl)methyl]benzenesulfonate IUPAC Name: 2-chloro-5-[(4-chloro-3-sulfonatophenyl)methyl]benzenesulfonate Traditional Name: 2-chloro-5-(4-chloro-3-sulfonato-benzyl)besylate Formula: C13H8Cl2O6S2-2 MolecularWeight: 395.23502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl

InChI

InChI=1S/C13H10Cl2O6S2/c14-10-3-1-8(6-12(10)22(16,17)18)5-9-2-4-11(15)13(7-9)23(19,20)21/h1-4,6-7H,5H2,(H,16,17,18)(H,19,20,21)/p-2