3-Nitro-4-[6-(2-Nitro-4-Sulfophenoxy)-6-Oxohexanoyl]Oxybenzenesulfonic Acid
[CAS# 143392-33-0]

Identification

• Name: 3-Nitro-4-[6-(2-Nitro-4-Sulfophenoxy)-6-Oxohexanoyl]Oxybenzenesulfonic Acid
• Synonyms: 3-Nitro-4-[6-(2-Nitro-4-Sulfo-Phenoxy)-6-Oxo-Hexanoyl]Oxy-Benzenesulfonic Acid; 3-Nitro-4-[6-(2-Nitro-4-Sulfophenoxy)-1,6-Dioxohexoxy]Benzenesulfonic Acid; 4-[6-Keto-6-(2-Nitro-4-Sulfo-Phenoxy)Hexanoyl]Oxy-3-Nitro-Benzenesulfonic Acid
• Molecular Formula: C₁₈H₁₆N₂O₁₄S₂
• Molecular Weight: 548.45
• CAS Registry Number: 143392-33-0
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1[S](=O)(=O)O)OC(=O)CCCCC(OC2=CC=C([S](=O)(=O)O)C=C2[N+]([O-])=O)=O
• InChI: 1S/C18H16N2O14S2/c21-17(33-15-7-5-11(35(27,28)29)9-13(15)19(23)24)3-1-2-4-18(22)34-16-8-6-12(36(30,31)32)10-14(16)20(25)26/h5-10H,1-4H2,(H,27,28,29)(H,30,31,32)
• InChIKey: KRLNEJSSUSJBSO-UHFFFAOYSA-N

Properties

• Density: 1.673g/cm³ (Cal.)