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

Systemtic Name: 4-[[2,3-bis(chloranyl)-4-sulfo-phenyl]methyl]-2,3-bis(chloranyl)benzenesulfonic acid Openeye Name: 2,3-dichloro-4-[(2,3-dichloro-4-sulfo-phenyl)methyl]benzenesulfonic acid CAS Name: 2,3-dichloro-4-[(2,3-dichloro-4-sulfophenyl)methyl]benzenesulfonic acid IUPAC Name: 2,3-dichloro-4-[(2,3-dichloro-4-sulfophenyl)methyl]benzenesulfonic acid Traditional Name: 2,3-dichloro-4-(2,3-dichloro-4-sulfo-benzyl)besylic acid Formula: C13H8Cl4O6S2 MolecularWeight: 466.14102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)S(=O)(=O)O)Cl)Cl)Cl)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1CC2=C(C(=C(C=C2)S(=O)(=O)O)Cl)Cl)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H8Cl4O6S2/c14-10-6(1-3-8(12(10)16)24(18,19)20)5-7-2-4-9(25(21,22)23)13(17)11(7)15/h1-4H,5H2,(H,18,19,20)(H,21,22,23)