4-Hydroxy-5-[[8-[(8-Hydroxy-3,6-Disulfonaphthalen-1-Yl)Amino]-8-Oxooctanoyl]Amino]Naphthalene-2,7-Disulfonic Acid
[CAS# 147646-62-6]

Identification

• Name: 4-Hydroxy-5-[[8-[(8-Hydroxy-3,6-Disulfonaphthalen-1-Yl)Amino]-8-Oxooctanoyl]Amino]Naphthalene-2,7-Disulfonic Acid
• Synonyms: 4-Hydroxy-5-[[8-[(8-Hydroxy-3,6-Disulfo-1-Naphthyl)Amino]-8-Oxo-Octanoyl]Amino]Naphthalene-2,7-Disulfonic Acid; 4-Hydroxy-5-[[8-[(8-Hydroxy-3,6-Disulfo-1-Naphthyl)Amino]-1,8-Dioxooctyl]Amino]Naphthalene-2,7-Disulfonic Acid; 4-Hydroxy-5-[[8-[(8-Hydroxy-3,6-Disulfo-1-Naphthyl)Amino]-8-Keto-Octanoyl]Amino]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₂₈H₂₈N₂O₁₆S₄
• Molecular Weight: 776.77
• CAS Registry Number: 147646-62-6
• SMILES: C1=C([S](O)(=O)=O)C=C4C(=C1NC(=O)CCCCCCC(=O)NC2=C3C(=CC(=C2)[S](O)(=O)=O)C=C([S](O)(=O)=O)C=C3O)C(=CC(=C4)[S](O)(=O)=O)O
• InChI: 1S/C28H28N2O16S4/c31-23-13-19(49(41,42)43)9-15-7-17(47(35,36)37)11-21(27(15)23)29-25(33)5-3-1-2-4-6-26(34)30-22-12-18(48(38,39)40)8-16-10-20(50(44,45)46)14-24(32)28(16)22/h7-14,31-32H,1-6H2,(H,29,33)(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)
• InChIKey: NLOZMMZDCUSXRJ-UHFFFAOYSA-N

Properties

• Density: 1.771g/cm³ (Cal.)