8-[[4-Methyl-3-[[3-[[3-[[2-Methyl-5-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Carbamoylamino]Benzoyl]Amino]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid
[CAS# 145-63-1]

Identification

• Name: 8-[[4-Methyl-3-[[3-[[3-[[2-Methyl-5-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Carbamoylamino]Benzoyl]Amino]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid
• Synonyms: 8-[[4-Methyl-3-[[3-[[3-[[2-Methyl-5-[(4,6,8-Trisulfo-1-Naphthyl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Carbamoylamino]Benzoyl]Amino]Benzoyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid; 8-[[[4-Methyl-3-[[[3-[[[[3-[[[2-Methyl-5-[Oxo-[(4,6,8-Trisulfo-1-Naphthyl)Amino]Methyl]Phenyl]Amino]-Oxomethyl]Phenyl]Amino]-Oxomethyl]Amino]Phenyl]-Oxomethyl]Amino]Phenyl]-Oxomethyl]Amino]Naphthalene-1,3,5-Trisulfonic Acid; 8-[[4-Methyl-3-[[3-[[3-[[2-Methyl-5-[(4,6,8-Trisulfonaphthalen-1-Yl)Carbamoyl]Phenyl]Carbamoyl]Phenyl]Carbamoylamino]Phenyl]Carbonylamino]Phenyl]Carbonylamino]Naphthalene-1,3,5-Trisulfonic Acid
• Molecular Formula: C₅₁H₄₀N₆O₂₃S₆
• Molecular Weight: 1297.26
• CAS Registry Number: 145-63-1
• EINECS: 205-658-4
• SMILES: C1=C2C(=C(C=C1[S](O)(=O)=O)[S](O)(=O)=O)C(=CC=C2[S](O)(=O)=O)NC(C3=CC(=C(C)C=C3)NC(C4=CC(=CC=C4)NC(NC5=CC=CC(=C5)C(NC6=C(C=CC(=C6)C(NC7=CC=C(C8=CC(=CC(=C78)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)=O)C)=O)=O)=O)=O
• InChI: 1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
• InChIKey: FIAFUQMPZJWCLV-UHFFFAOYSA-N

Properties

• Density: 1.795g/cm³ (Cal.)