disodium 2-chloranyl-5-[2,4,5-tris(chloranyl)phenyl]sulfonyl-benzene-1,3-disulfonate

Systemtic Name: disodium 2-chloranyl-5-[2,4,5-tris(chloranyl)phenyl]sulfonyl-benzene-1,3-disulfonate Openeye Name: disodium 2-chloro-5-(2,4,5-trichlorophenyl)sulfonyl-benzene-1,3-disulfonate CAS Name: disodium 2-chloro-5-(2,4,5-trichlorophenyl)sulfonylbenzene-1,3-disulfonate IUPAC Name: disodium 2-chloro-5-(2,4,5-trichlorophenyl)sulfonylbenzene-1,3-disulfonate Traditional Name: disodium 2-chloro-5-(2,4,5-trichlorophenyl)sulfonyl-benzene-1,3-disulfonate Formula: C12H4Cl4Na2O8S3 MolecularWeight: 560.1419

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl.[Na+].[Na+]

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl.[Na+].[Na+]

InChI

InChI=1S/C12H6Cl4O8S3.2Na/c13-6-3-8(15)9(4-7(6)14)25(17,18)5-1-10(26(19,20)21)12(16)11(2-5)27(22,23)24;;/h1-4H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2