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13725-33-2 | 1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, potassium salt (1:2)
CAS No: 13725-33-2 Catalog No: AG00130V MDL No:MFCD00067311
Product Description
Catalog Number:
AG00130V
Chemical Name:
1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, potassium salt (1:2)
CAS Number:
13725-33-2
Molecular Formula:
C16H9K2N2O8S2+
Molecular Weight:
499.5779
MDL Number:
MFCD00067311
IUPAC Name:
dipotassium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
InChI:
InChI=1S/C16H10N2O8S2.2K/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChI Key:
WUBUCCFHEHLHLF-UHFFFAOYSA-L
SMILES:
O=C1C(=C2Nc3c(C2=O)cc(cc3)S(=O)(=O)O)Nc2c1cc(cc2)S(=O)(=O)[O-].[K+].[K+]
Properties
Complexity:
877
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.9g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
498.563g/mol
Monoisotopic Mass:
497.9g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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