CAS Registry Number®
72987-16-7
CAS Name
1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (1:?:?)
Molecular Formula
C29H26FN7O11S3.xK.xNa
Other Names and Identifiers
InChI
InChI=1S/C29H26FN7O11S3.K.Na/c30-27-35-28(37-29(36-27)34-18-11-15(49(40,41)42)9-10-20(18)50(43,44)45)33-14-7-5-13(6-8-14)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-3-1-2-4-17(16)26(23)39;;/h1-4,9-14,32H,5-8,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;
InChIKey
InChIKey=NXHCQQWPGFLHST-UHFFFAOYSA-N
Canonical SMILES
[Na].[K].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4CCC(NC=5N=C(F)N=C(N5)NC6=CC(=CC=C6S(=O)(=O)O)S(=O)(=O)O)CC4)=C13)S(=O)(=O)O
Other Names for this Substance
- 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (1:?:?)
- 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulfo-1-anthracenyl)amino]cyclohexyl]amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-, potassium sodium salt

