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4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate

Catalog ID
STL052769
SMILES CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc(=[N+](CC)CC)c1)CC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C27H29N2O7S2 MW 557.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35)/p-1
InChIKey
IOOMXAQUNPWDLL-UHFFFAOYSA-M
Synonyms

4(3(DIETHYLAMINO)6DIETHYLAZANIUMYLIDENEXANTHEN9YL)BENZENE13DISULFONATE
4(6(diethylamino)3(diethyliminio)3Hxanthen9yl)benzene13disulfonate
CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)(O))S(=O)(=O)(O))ccc(=(N+)(CC)CC)c1)CC
CCN(c1ccc2c(c1)oc1c(c2c2ccc(cc2S(=O)(=O)(O))S(=O)(=O)(O))ccc(=(N+)(CC)CC)c1)CC(Na+)
CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=(N+)(CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)(O))S(=O)(=O)(O)
InChI=1SC27H30N2O7S2c1528(62)189122124(1518)36251619(29(73)84)101322(25)27(21)23141120(37(3031)32)1726(23)38(3334)35h917H58H214H3(H303132333435)p1
SODIUM4(3(DIETHYLAMINO)6DIETHYLAZANIUMYLIDENEXANTHEN9YL)BENZENE13DISULFONATE
SODIUM4(3(DIETHYLAMINO)6DIETHYLIMINIO9XANTHENYL)BENZENE13DISULFONATE
SODIUM4(3(DIETHYLAMINO)6DIETHYLIMINIOXANTHEN9YL)BENZENE13DISULFONATE
sodium4(6(diethylamino)3(diethyliminio)3Hxanthen9yl)benzene13disulfonate
ZINC04235524

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Available files

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