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70210-31-0 | 2-Naphthalenesulfonicacid,8-[2-[4-[2-(4-amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-,sodium salt (1:4)
CAS No: 70210-31-0 Catalog No: AG005KIH MDL No:
Product Description
Catalog Number:
AG005KIH
Chemical Name:
2-Naphthalenesulfonicacid,8-[2-[4-[2-(4-amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-,sodium salt (1:4)
CAS Number:
70210-31-0
Molecular Formula:
C43H26N8Na4O14S4
Molecular Weight:
1098.9308
IUPAC Name:
tetrasodium;3-[[4-[[4-[(4-amino-3-sulfonatophenyl)diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-6-sulfonatonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C43H30N8O14S4.4Na/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4
InChI Key:
HIEDOYRWOABXMI-UHFFFAOYSA-J
SMILES:
O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)N=Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccc(c2c1ccc(c2)S(=O)(=O)[O-])N=Nc1ccc(c(c1)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
EC Number:
274-427-8
Properties
Complexity:
2310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1098.004g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
21
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
1098.922g/mol
Monoisotopic Mass:
1098.004g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
412A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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