Synonyms
6733AF; Disodium bathocuproinedisulfonate; FT-0622590; SC-84981; dipotassium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate; GT0734; 52698-84-7; 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline disulfonate; Bathocuproinedisulfonic acid sodium salt;
IUPAC Name
disodium;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate;
Molecular Weight
564.538g/mol
Molecular Formula
C26H18N2Na2O6S2;
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
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;
InChI Key
RNGKZLRAVYPLJC-UHFFFAOYSA-L;
Storage
Indoors
Complexity
874
Covalently-Bonded Unit Count
3
EC Number
258-111-7
Exact Mass
564.04g/mol
H-Bond Acceptor
8
Heavy Atom Count
38
Monoisotopic Mass
564.04g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
157A^2
