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84864-68-6 | sodium 2-(1,3-dioxoinden-2-yl)quinoline-6-sulfonate
CAS No: 84864-68-6 Catalog No: AG004QN8 MDL No:
Product Description
Catalog Number:
AG004QN8
Chemical Name:
sodium 2-(1,3-dioxoinden-2-yl)quinoline-6-sulfonate
CAS Number:
84864-68-6
Molecular Formula:
C18H10NNaO5S
Molecular Weight:
375.3305
IUPAC Name:
sodium;2-(1,3-dioxoinden-2-yl)quinoline-6-sulfonate
InChI:
InChI=1S/C18H11NO5S.Na/c20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15;/h1-9,16H,(H,22,23,24);/q;+1/p-1
InChI Key:
UDGALIJSGBPQCX-UHFFFAOYSA-M
SMILES:
O=C1C(c2ccc3c(n2)ccc(c3)S(=O)(=O)[O-])C(=O)c2c1cccc2.[Na+]
EC Number:
284-392-0
UNII:
P77BBH5SGJ
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.018g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.33g/mol
Monoisotopic Mass:
375.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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