200,000+ products from a single source!
sales@angenechem.com
115787-82-1 | Butanoic acid, 3,6,8-trisulfo-1-pyrenyl ester, sodium salt (1:3)
CAS No: 115787-82-1 Catalog No: AG000GVF MDL No:
Product Description
Catalog Number:
AG000GVF
Chemical Name:
Butanoic acid, 3,6,8-trisulfo-1-pyrenyl ester, sodium salt (1:3)
CAS Number:
115787-82-1
Molecular Formula:
C20H16Na3O11S3
Molecular Weight:
597.4987
IUPAC Name:
trisodium;8-butanoyloxypyrene-1,3,6-trisulfonate
InChI:
InChI=1S/C20H16O11S3.3Na/c1-2-3-18(21)31-14-8-15(32(22,23)24)11-6-7-13-17(34(28,29)30)9-16(33(25,26)27)12-5-4-10(14)19(11)20(12)13;;;/h4-9H,2-3H2,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3
InChI Key:
AXRHQOVIZNDJOE-UHFFFAOYSA-K
SMILES:
CCCC(=O)Oc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na].[Na].[Na]
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.931g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.462g/mol
Monoisotopic Mass:
593.931g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.