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85030-19-9 | DIPOTASSIUM 4-(BENZOYLAMINO)-5-HYDROXYNAPHTHALENE-2,7-DISULFONATE
CAS No: 85030-19-9 Catalog No: AG0050OG MDL No:
Product Description
Catalog Number:
AG0050OG
Chemical Name:
DIPOTASSIUM 4-(BENZOYLAMINO)-5-HYDROXYNAPHTHALENE-2,7-DISULFONATE
CAS Number:
85030-19-9
Molecular Formula:
C17H11K2NO8S2
Molecular Weight:
499.5977
IUPAC Name:
dipotassium;4-benzamido-5-hydroxynaphthalene-2,7-disulfonate
InChI:
InChI=1S/C17H13NO8S2.2K/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
InChI Key:
ZATXXPSITRJFHO-UHFFFAOYSA-L
SMILES:
O=C(c1ccccc1)Nc1cc(cc2c1c(O)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]
EC Number:
285-144-4
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.92g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
499.591g/mol
Monoisotopic Mass:
498.92g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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