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

Systemtic Name: 5-chloranyl-3-[(5-chloranyl-2-oxidanyl-3-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfo-phenyl)methyl]-2-hydroxy-benzenesulfonic acid CAS Name: 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfophenyl)methyl]-2-hydroxybenzenesulfonic acid IUPAC Name: 5-chloro-3-[(5-chloro-2-hydroxy-3-sulfophenyl)methyl]-2-hydroxybenzenesulfonic acid Traditional Name: 5-chloro-3-(5-chloro-2-hydroxy-3-sulfo-benzyl)-2-hydroxy-besylic acid Formula: C13H10Cl2O8S2 MolecularWeight: 429.2497

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)O)O)CC2=CC(=CC(=C2O)S(=O)(=O)O)Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)O)O)CC2=CC(=CC(=C2O)S(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C13H10Cl2O8S2/c14-8-2-6(12(16)10(4-8)24(18,19)20)1-7-3-9(15)5-11(13(7)17)25(21,22)23/h2-5,16-17H,1H2,(H,18,19,20)(H,21,22,23)