Hexasodium 4,4'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-Morpholino-1,3,5-Triazine-4,2-Diyl]Imino]]Bis[5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate]
[CAS# 17791-81-0]

Identification

• Name: Hexasodium 4,4'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-Morpholino-1,3,5-Triazine-4,2-Diyl]Imino]]Bis[5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate]
• Synonyms: Hexasodium 4,4'-(Vinylenebis((3-Sulphonato-4,1-Phenylene)Imino(6-Morpholino-1,3,5-Triazine-4,2-Diyl)Imino))Bis(5-Hydroxy-6-(Phenylazo)Naphthalene-2,7-Disulphonate)
• Molecular Formula: C₆₀H₄₆N₁₆Na₆O₂₂S₆
• Molecular Weight: 1673.42
• CAS Registry Number: 17791-81-0
• EINECS: 241-769-4
• SMILES: C1=C(C(=CC=C1NC2=NC(=NC(=N2)NC4=C3C(=C(C(=CC3=CC(=C4)[S](=O)(=O)[O-])[S](=O)(=O)[O-])N=NC5=CC=CC=C5)O)N6CCOCC6)\C=C\C%12=CC=C(NC7=NC(=NC(=N7)NC9=C8C(=C(C(=CC8=CC(=C9)[S](=O)(=O)[O-])[S](=O)(=O)[O-])N=NC%10=CC=CC=C%10)O)N%11CCOCC%11)C=C%12[S](=O)(=O)[O-])[S](=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C60H52N16O22S6.6Na/c77-53-49-35(27-47(103(91,92)93)51(53)73-71-37-7-3-1-4-8-37)25-41(99(79,80)81)31-43(49)63-57-65-55(67-59(69-57)75-17-21-97-22-18-75)61-39-15-13-33(45(29-39)101(85,86)87)11-12-34-14-16-40(30-46(34)102(88,89)90)62-56-66-58(70-60(68-56)76-19-23-98-24-20-76)64-44-32-42(100(82,83)84)26-36-28-48(104(94,95)96)52(54(78)50(36)44)74-72-38-9-5-2-6-10-38;;;;;;/h1-16,25-32,77-78H,17-24H2,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;/q;6*+1/p-6/b12-11+,73-71?,74-72?
• InChIKey: WBPUCWSCPXNMOA-MELJACINSA-H