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30587-99-6 | Benzenesulfonic acid, (2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis-, disodium salt (9CI)
CAS No: 30587-99-6 Catalog No: AG0030MF MDL No:
Product Description
Catalog Number:
AG0030MF
Chemical Name:
Benzenesulfonic acid, (2,3-dihydro-2-oxo-1H-imidazole-4,5-diyl)bis-, disodium salt (9CI)
CAS Number:
30587-99-6
Molecular Formula:
C15H10N2Na2O7S2
Molecular Weight:
440.3586
IUPAC Name:
disodium;2-[2-oxo-5-(2-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate
InChI:
InChI=1S/C15H12N2O7S2.2Na/c18-15-16-13(9-5-1-3-7-11(9)25(19,20)21)14(17-15)10-6-2-4-8-12(10)26(22,23)24;;/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
InChI Key:
LCUWJGNLLCMGON-UHFFFAOYSA-L
SMILES:
O=c1[nH]c(c([nH]1)c1ccccc1S(=O)(=O)[O-])c1ccccc1S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
250-255-9
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.972g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
440.352g/mol
Monoisotopic Mass:
439.972g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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