2-chloranyl-5-[(4-chloranyl-3-sulfo-phenyl)methyl]benzenesulfonic acid

Systemtic Name: 2-chloranyl-5-[(4-chloranyl-3-sulfo-phenyl)methyl]benzenesulfonic acid Openeye Name: 2-chloro-5-[(4-chloro-3-sulfo-phenyl)methyl]benzenesulfonic acid CAS Name: 2-chloro-5-[(4-chloro-3-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 2-chloro-5-[(4-chloro-3-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: 2-chloro-5-(4-chloro-3-sulfo-benzyl)besylic acid Formula: C13H10Cl2O6S2 MolecularWeight: 397.2509

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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)