disodium 2-chloranyl-5-(4-chloranyl-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid

Systemtic Name: disodium 2-chloranyl-5-(4-chloranyl-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid Openeye Name: disodium 2-chloro-5-(4-chloro-3-sulfo-phenyl)sulfonyl-benzenesulfonic acid CAS Name: disodium 2-chloro-5-(4-chloro-3-sulfophenyl)sulfonylbenzenesulfonic acid IUPAC Name: disodium 2-chloro-5-(4-chloro-3-sulfophenyl)sulfonylbenzenesulfonic acid Traditional Name: disodium 2-chloro-5-(4-chloro-3-sulfo-phenyl)sulfonyl-besylic acid Formula: C12H8Cl2Na2O8S3+2 MolecularWeight: 493.26766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8Cl2O8S3.2Na/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1