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84924-83-4 | Quinolinesulfonic acid,2-(2,3-dihydro-1,3-dioxosulfo-1H-inden-2-yl)-, sodium salt (1:2)
CAS No: 84924-83-4 Catalog No: AG004RNH MDL No:
Product Description
Catalog Number:
AG004RNH
Chemical Name:
Quinolinesulfonic acid,2-(2,3-dihydro-1,3-dioxosulfo-1H-inden-2-yl)-, sodium salt (1:2)
CAS Number:
84924-83-4
Molecular Formula:
C18H11NNa2O8S2
Molecular Weight:
479.3914
IUPAC Name:
disodium;2-(1,3-dioxo-2-sulfonatoinden-2-yl)-1H-quinoline-2-sulfonate
InChI:
InChI=1S/C18H13NO8S2.2Na/c20-15-12-6-2-3-7-13(12)16(21)18(15,29(25,26)27)17(28(22,23)24)10-9-11-5-1-4-8-14(11)19-17;;/h1-10,19H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
InChI Key:
RQTXRJBUOSWWPD-UHFFFAOYSA-L
SMILES:
O=C1c2ccccc2C(=O)C1(S(=O)(=O)[O-])C1(C=Cc2c(N1)cccc2)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
284-497-1
Properties
Complexity:
924
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.972g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
479.385g/mol
Monoisotopic Mass:
478.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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