290688

4-Acetamido-4′-isothiocyanato-2,2′-stilbenedisulfonic acid disodium salt hydrate

technical grade, 80%

• Synonym(s): Disodium 4-acetamido-4′-isothiocyanato-stilben-2,2′-disulfonate, SITS
• Empirical Formula (Hill Notation): C₁₇H₁₂N₂Na₂O₇S₃ · xH₂O
• CAS Number: 51023-76-8
• Molecular Weight: 498.46 (anhydrous basis)
• Beilstein: 9177451
• EC Number: 256-919-4
• MDL number: MFCD00007485
• UNSPSC Code: 12352103

Properties

• grade: technical grade
• Assay: 80%
• SMILES string: [Na+].[Na+].CC(=O)Nc1ccc(\C=C\c2ccc(cc2S([O-])(=O)=O)N=C=S)c(c1)S([O-])(=O)=O
• InChI: 1S/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b3-2+;;
• InChI key: NPAWAMRXPHRVQY-WTVBWJGASA-L