200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 10018-53-8
10018-53-8 | 1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(3-methyl-4,1-phenylene)azo]]bis- (9CI)
CAS No: 10018-53-8 Catalog No: AG00016E MDL No:
Product Description
Catalog Number:
AG00016E
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3,3'-[carbonylbis[imino(3-methyl-4,1-phenylene)azo]]bis- (9CI)
CAS Number:
10018-53-8
Molecular Formula:
C35H28N6O13S4
Molecular Weight:
868.8892
IUPAC Name:
3-[[4-[[4-[(4,8-disulfonaphthalen-2-yl)diazenyl]-2-methylphenyl]carbamoylamino]-3-methylphenyl]diazenyl]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C35H28N6O13S4/c1-19-13-21(38-40-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)9-11-29(19)36-35(42)37-30-12-10-22(14-20(30)2)39-41-24-16-28-26(34(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChI Key:
JKPJDILWKFFZFM-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1C)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O)Nc1ccc(cc1C)N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
Properties
Complexity:
1840
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
868.06g/mol
Formal Charge:
0
Heavy Atom Count:
58
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
868.878g/mol
Monoisotopic Mass:
868.06g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
342A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.