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83929-59-3 | Benzo[f]quinoline-9-sulfonicacid, 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxy-, sodium salt (1:1)
CAS No: 83929-59-3 Catalog No: AG008HM8 MDL No:
Product Description
Catalog Number:
AG008HM8
Chemical Name:
Benzo[f]quinoline-9-sulfonicacid, 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxy-, sodium salt (1:1)
CAS Number:
83929-59-3
Molecular Formula:
C22H12NNaO6S
Molecular Weight:
441.3885
IUPAC Name:
sodium;3-(1,3-dioxoinden-2-yl)-7-oxo-4H-benzo[f]quinoline-9-sulfonate
InChI:
InChI=1S/C22H13NO6S.Na/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26;/h1-10,20,23H,(H,27,28,29);/q;+1/p-1
InChI Key:
JONYKWZWIVTMER-UHFFFAOYSA-M
SMILES:
O=C1C(c2ccc3c(n2)ccc2c3cc(cc2O)S(=O)(=O)[O-])C(=O)c2c1cccc2.[Na+]
EC Number:
281-351-9
Properties
Complexity:
1180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.028g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.389g/mol
Monoisotopic Mass:
441.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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