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85098-86-8 | Benzoic acid,5-[(dimethylamino)sulfonyl]-2-[1-ethyl-3-(2-methoxy-4-nitrophenyl)-2-triazen-1-yl]-,sodium salt (1:1)
CAS No: 85098-86-8 Catalog No: AG004RF1 MDL No:
Product Description
Catalog Number:
AG004RF1
Chemical Name:
Benzoic acid,5-[(dimethylamino)sulfonyl]-2-[1-ethyl-3-(2-methoxy-4-nitrophenyl)-2-triazen-1-yl]-,sodium salt (1:1)
CAS Number:
85098-86-8
Molecular Formula:
C18H20N5NaO7S
Molecular Weight:
473.4355
IUPAC Name:
sodium;5-(dimethylsulfamoyl)-2-[ethyl-[(2-methoxy-4-nitrophenyl)diazenyl]amino]benzoate
InChI:
InChI=1S/C18H21N5O7S.Na/c1-5-22(20-19-15-8-6-12(23(26)27)10-17(15)30-4)16-9-7-13(11-14(16)18(24)25)31(28,29)21(2)3;/h6-11H,5H2,1-4H3,(H,24,25);/q;+1/p-1
InChI Key:
VDNZRHRWNSYAGB-UHFFFAOYSA-M
SMILES:
CC=NN(c1ccc(cc1C(=O)[O-])S(=O)(=O)N(C)C)Nc1ccc(cc1OC)[N+](=O)[O-].[Na+]
EC Number:
285-439-8
Properties
Complexity:
759
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.098g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.436g/mol
Monoisotopic Mass:
473.098g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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