disodium 4-(4-sulfonatophenyl)sulfanylbenzenesulfonate

Systemtic Name: disodium 4-(4-sulfonatophenyl)sulfanylbenzenesulfonate Openeye Name: disodium 4-(4-sulfonatophenyl)sulfanylbenzenesulfonate CAS Name: disodium 4-[(4-sulfonatophenyl)thio]benzenesulfonate IUPAC Name: disodium 4-(4-sulfonatophenyl)sulfanylbenzenesulfonate Traditional Name: disodium 4-[(4-sulfonatophenyl)thio]besylate Formula: C12H8Na2O6S3 MolecularWeight: 390.36286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1SC2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H10O6S3.2Na/c13-20(14,15)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(16,17)18;;/h1-8H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2