200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1324-29-4
1324-29-4 | Anthrazinesulfonic acid, 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxo-, sodium salt (1:1)
CAS No: 1324-29-4 Catalog No: AG0010NL MDL No:
Product Description
Catalog Number:
AG0010NL
Chemical Name:
Anthrazinesulfonic acid, 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxo-, sodium salt (1:1)
CAS Number:
1324-29-4
Molecular Formula:
C28H13N2NaO7S
Molecular Weight:
544.4668
IUPAC Name:
sodium;5,12,20,27-tetraoxo-2,17-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),3(16),4(13),6(11),7,9,14,19(28),21,23,25,29-dodecaene-10-sulfonate
InChI:
InChI=1S/C28H14N2O7S.Na/c31-25-12-4-1-2-5-13(12)26(32)21-15(25)8-10-17-23(21)29-18-11-9-16-22(24(18)30-17)28(34)14-6-3-7-19(38(35,36)37)20(14)27(16)33;/h1-11,29-30H,(H,35,36,37);/q;+1/p-1
InChI Key:
MCMQCTRZELFHCC-UHFFFAOYSA-M
SMILES:
O=c1c2c3[nH]c4ccc5c(c4[nH]c3ccc2c(=O)c2c1cccc2S(=O)(=O)[O-])c(=O)c1c(c5=O)cccc1.[Na+]
EC Number:
215-371-6
Properties
Complexity:
1190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.034g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
544.469g/mol
Monoisotopic Mass:
544.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.