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114519-81-2 | 2-Naphthalenesulfonic acid, iron(3+) salt (3:1)
CAS No: 114519-81-2 Catalog No: AG000EMB MDL No:
Product Description
Catalog Number:
AG000EMB
Chemical Name:
2-Naphthalenesulfonic acid, iron(3+) salt (3:1)
CAS Number:
114519-81-2
Molecular Formula:
C30H23FeO10S3
Molecular Weight:
695.5376
IUPAC Name:
iron(3+);naphthalene-2-sulfonate;hydrate
InChI:
InChI=1S/3C10H8O3S.Fe.H2O/c3*11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;;/h3*1-7H,(H,11,12,13);;1H2/q;;;+3;/p-3
InChI Key:
RLOADSZCTIDYPF-UHFFFAOYSA-K
SMILES:
[O-]S(=O)(=O)c1ccc2c(c1)cccc2.[O-]S(=O)(=O)c1ccc2c(c1)cccc2.[O-]S(=O)(=O)c1ccc2c(c1)cccc2.O.[Fe+3]
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
694.98g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
695.529g/mol
Monoisotopic Mass:
694.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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