200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 10114-86-0
10114-86-0 | Benzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-, sodium salt (1:2)
CAS No: 10114-86-0 Catalog No: AG0003UL MDL No:
Product Description
Catalog Number:
AG0003UL
Chemical Name:
Benzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)-2,1-diazenediyl]]bis-, sodium salt (1:2)
CAS Number:
10114-86-0
Molecular Formula:
C27H22N6Na2O9S2
Molecular Weight:
684.6079
IUPAC Name:
disodium;3-[[3-methoxy-4-[[2-methoxy-4-[(3-sulfonatophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]benzenesulfonate
InChI:
InChI=1S/C27H24N6O9S2.2Na/c1-41-25-15-19(32-30-17-5-3-7-21(13-17)43(35,36)37)9-11-23(25)28-27(34)29-24-12-10-20(16-26(24)42-2)33-31-18-6-4-8-22(14-18)44(38,39)40;;/h3-16H,1-2H3,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2
InChI Key:
MFZGSFUTGDGCSC-UHFFFAOYSA-L
SMILES:
COc1cc(ccc1NC(=O)Nc1ccc(cc1OC)N=Nc1cccc(c1)S(=O)(=O)[O-])N=Nc1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+]
EC Number:
233-316-4
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
684.069g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
684.606g/mol
Monoisotopic Mass:
684.069g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.