200,000+ products from a single source!
sales@angenechem.com
83027-50-3 | SODIUM 6-AMINO-5-[[2-[[3-[[4-(TERT-BUTYL)PHENOXY]SULFONYL]PHENYL]SULFONYL]PHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULFONATE
CAS No: 83027-50-3 Catalog No: AG0053L4 MDL No:
Product Description
Catalog Number:
AG0053L4
Chemical Name:
SODIUM 6-AMINO-5-[[2-[[3-[[4-(TERT-BUTYL)PHENOXY]SULFONYL]PHENYL]SULFONYL]PHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULFONATE
CAS Number:
83027-50-3
Molecular Formula:
C32H28N3NaO9S3
Molecular Weight:
717.7642
IUPAC Name:
sodium;6-amino-5-[[2-[3-(4-tert-butylphenoxy)sulfonylphenyl]sulfonylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
InChI:
InChI=1S/C32H29N3O9S3.Na/c1-32(2,3)21-12-14-22(15-13-21)44-47(42,43)24-8-6-7-23(18-24)45(37,38)29-10-5-4-9-27(29)34-35-31-26(33)16-11-20-17-25(46(39,40)41)19-28(36)30(20)31;/h4-19,36H,33H2,1-3H3,(H,39,40,41);/q;+1/p-1
InChI Key:
PACQBVQOTIYEDA-UHFFFAOYSA-M
SMILES:
Nc1ccc2c(c1N=Nc1ccccc1S(=O)(=O)c1cccc(c1)S(=O)(=O)Oc1ccc(cc1)C(C)(C)C)c(O)cc(c2)S(=O)(=O)[O-].[Na+]
EC Number:
280-154-5
Properties
Complexity:
1430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
717.089g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
717.758g/mol
Monoisotopic Mass:
717.089g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.