DASC-4
Molecular Formula:
C38H37N11Na2O8S2
InChI: InChI=1/C38H39N11O8S2.2Na/c1-48(19-21-50)37-43-33(27-9-5-3-6-10-27)42-34(45-37)40-29-17-15-25(31(23-29)58(52,53)54)13-14-26-16-18-30(24-32(26)59(55,56)57)41-36-44-35(39-28-11-7-4-8-12-28)46-38(47-36)49(2)20-22-51;;/h3-18,23-24,50-51H,19-22H2,1-2H3,(H,52,53,54)(H,55,56,57)(H,40,42,43,45)(H2,39,41,44,46,47);;/q;2*+1/p-2/b14-13+;;/fC38H37N11O8S2.2Na/h39-41H;;/q-2;2m
InChIKey: InChIKey=IPXBRSRHEPYVLF-QGQXOUIMDX
SMILES: CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(C)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])C6=CC=CC=C6.[Na+].[Na+]
Names:
DASC-4
disodium 2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethyl-methyl-amino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-5-[[4-(2-hydroxyethyl-methyl-amino)-6-phenyl-1,3,5-triazin-2-yl]amino]benzenesulfonate
56776-29-5
Registries:
PubChem CID 6434538
PubChem ID 182634
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