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83763-82-0 | 2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[3-[(4-ethoxy-3-sulfophenyl)azo]-4-hydroxy-,tetrasodium salt (9CI)
CAS No: 83763-82-0 Catalog No: AG004X0O MDL No:
Product Description
Catalog Number:
AG004X0O
Chemical Name:
2-Naphthalenesulfonicacid, 7,7'-(carbonyldiimino)bis[3-[(4-ethoxy-3-sulfophenyl)azo]-4-hydroxy-,tetrasodium salt (9CI)
CAS Number:
83763-82-0
Molecular Formula:
C37H28N6Na4O17S4
Molecular Weight:
1048.8673
IUPAC Name:
tetrasodium;3-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-7-[[6-[(4-ethoxy-3-sulfonatophenyl)diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]carbamoylamino]-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C37H32N6O17S4.4Na/c1-3-59-27-11-7-23(17-29(27)61(47,48)49)40-42-33-31(63(53,54)55)15-19-13-21(5-9-25(19)35(33)44)38-37(46)39-22-6-10-26-20(14-22)16-32(64(56,57)58)34(36(26)45)43-41-24-8-12-28(60-4-2)30(18-24)62(50,51)52;;;;/h5-18,44-45H,3-4H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4
InChI Key:
DQSCFJIWFCCVGM-UHFFFAOYSA-J
SMILES:
CCOc1ccc(cc1S(=O)(=O)[O-])N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(c(c1)S(=O)(=O)[O-])OCC)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
280-770-4
Properties
Complexity:
1930
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1047.998g/mol
Formal Charge:
0
Heavy Atom Count:
68
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
1048.855g/mol
Monoisotopic Mass:
1047.998g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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