Disodium Bathocuproinedisulfonate

Catalog Number	ACM52698847-1
CAS	52698-84-7
Structure
Synonyms	Sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
IUPAC Name	disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate
Molecular Weight	564.55
Molecular Formula	C26H18N2O6S2.2Na
Canonical SMILES	CC1=C(C(=C2C=CC3=C(C(=C(N=C3C2=N1)C)S(=O)(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5)S(=O)(=O)[O-].[Na+].[Na+]
InChI	RNGKZLRAVYPLJC-UHFFFAOYSA-L
InChI Key	InChI=1S/C26H20N2O6S2.2Na/c1-15-25(35(29,30)31)21(17-9-5-3-6-10-17)19-13-14-20-22(18-11-7-4-8-12-18)26(36(32,33)34)16(2)28-24(20)23(19)27-15;;/h3-14H,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2
Melting Point	300 °C-lit.
Appearance	White to beige powder
EC Number	258-111-7
Exact Mass	564.04016721
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	564.04016721
Rotatable Bond Count	2
Topological Polar Surface Area	157 Ų