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28706-25-4 | 2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-, sodium salt (1:4)
CAS No: 28706-25-4 Catalog No: AG002W69 MDL No:
Product Description
Catalog Number:
AG002W69
Chemical Name:
2-Naphthalenesulfonic acid, 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[2-(6-sulfo-2-naphthalenyl)diazenyl]-, sodium salt (1:4)
CAS Number:
28706-25-4
Molecular Formula:
C41H26N6Na4O15S4++
Molecular Weight:
1062.8954
IUPAC Name:
tetrasodium;6-[[1-oxido-6-[[5-oxido-7-sulfo-6-[(6-sulfonatonaphthalen-2-yl)diazenyl]naphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-2-sulfonate
InChI:
InChI=1S/C41H28N6O15S4.4Na/c48-39-33-11-7-27(15-25(33)19-35(65(57,58)59)37(39)46-44-29-5-1-23-17-31(63(51,52)53)9-3-21(23)13-29)42-41(50)43-28-8-12-34-26(16-28)20-36(66(60,61)62)38(40(34)49)47-45-30-6-2-24-18-32(64(54,55)56)10-4-22(24)14-30;;;;/h1-20,48-49H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4
InChI Key:
VDOGYBKHFWFTCJ-UHFFFAOYSA-J
SMILES:
O=C(Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)S(=O)(=O)[O-])Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
249-171-5
Properties
Complexity:
2080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1059.977g/mol
Formal Charge:
0
Heavy Atom Count:
70
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
1060.869g/mol
Monoisotopic Mass:
1059.977g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
393A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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