8-[[4-[4-[[4-[4-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid
[CAS# 111129-59-0]

Identification

• Name: 8-[[4-[4-[[4-[4-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid
• Synonyms: 8-[[4-[4-[[4-[4-[(4,6,8-Trisulfo-1-Naphthyl)Carbamoyl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid; 8-[[Oxo-[4-[4-[[Oxo-[[4-[4-[Oxo-[(4,6,8-Trisulfo-1-Naphthyl)Amino]Methyl]Phenyl]Phenyl]Amino]Methyl]Amino]Phenyl]Phenyl]Methyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid; 8-[[4-[4-[[4-[4-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Phenyl]Carbonylamino]Naphthalene-1,3,5-Trisulfonic Acid
• Molecular Formula: C₄₇H₃₄N₄O₂₁S₆
• Molecular Weight: 1183.16
• CAS Registry Number: 111129-59-0
• SMILES: C1=C2C(=C([S](=O)(=O)O)C=C1[S](=O)(=O)O)C(=CC=C2[S](=O)(=O)O)NC(=O)C3=CC=C(C=C3)C8=CC=C(NC(=O)NC7=CC=C(C6=CC=C(C(=O)NC4=C5C(=C([S](=O)(=O)O)C=C4)C=C([S](=O)(=O)O)C=C5[S](=O)(=O)O)C=C6)C=C7)C=C8
• InChI: 1S/C47H34N4O21S6/c52-45(50-37-17-19-39(75(61,62)63)35-21-33(73(55,56)57)23-41(43(35)37)77(67,68)69)29-5-1-25(2-6-29)27-9-13-31(14-10-27)48-47(54)49-32-15-11-28(12-16-32)26-3-7-30(8-4-26)46(53)51-38-18-20-40(76(64,65)66)36-22-34(74(58,59)60)24-42(44(36)38)78(70,71)72/h1-24H,(H,50,52)(H,51,53)(H2,48,49,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)
• InChIKey: IYMXKDIVRHAFTD-UHFFFAOYSA-N

Properties

• Density: 1.784g/cm³ (Cal.)