Bathophenanthrolinedisulfonic Acid Disodium Salt - CAS 98645-86-4

Catalog:	BB074079
Product Name:	Bathophenanthrolinedisulfonic Acid Disodium Salt
CAS:	98645-86-4
Synonyms:	disodium; 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate; hydrate; Bathophenanthrolinedisulfonic acid disodium salt hydrate; bathophenanthroline disulfonic acid disodium salt hydrate; sodium 4,7-diphenyl-1,10-phenanthroline-3,8-disulfonate hydrate

Technical Data

IUPAC Name:	disodium4,7-diphenyl-1,10-phenanthroline-3,8-disulfonatehydrate
Molecular Weight:	536.49
Molecular Formula:	C24H14N2Na2O6S2
Canonical SMILES:	C1=CC=C(C=C1)C2=C3C=CC4=C(C(=CN=C4C3=NC=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C5=CC=CC=C5.O.[Na+].[Na+]
InChI:	InChI=1S/C24H16N2O6S2.2Na.H2O/c27-33(28,29)19-13-25-23-17(21(19)15-7-3-1-4-8-15)11-12-18-22(16-9-5-2-6-10-16)20(34(30,31)32)14-26-24(18)23/h1-14H,(H,27,28,29)(H,30,31,32)1H2/q2*+1/p-2
InChI Key:	XYCFSBXROICZOX-UHFFFAOYSA-L

Complexity:	816
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	4
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	554.01943176
Formal Charge:	0
Heavy Atom Count:	37
Hydrogen Bond Acceptor Count:	9
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	554.01943176
Rotatable Bond Count:	2
Topological Polar Surface Area:	158Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0