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CID 15868817

PubChem CID
15868817
Structure
CID 15868817_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
280.28 g/mol
Dates
  • Create:
    2007-02-12

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 15868817.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;anthracene-2-sulfonate

2.1.2 InChI

InChI=1S/C14H10O3S.Na/c15-18(16,17)14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14;/h1-9H,(H,15,16,17);/q;+1/p-1

2.1.3 InChIKey

XGQPUSJLJAPLGH-UHFFFAOYSA-M

2.1.4 SMILES

C1=CC=C2C=C3C=C(C=CC3=CC2=C1)S(=O)(=O)[O-].[Na+]

2.2 Molecular Formula

C14H9NaO3S

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
280.28 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
0
Property Name
Exact Mass
Property Value
280.01700960 g/mol
Property Name
Monoisotopic Mass
Property Value
280.01700960 g/mol
Property Name
Topological Polar Surface Area
Property Value
65.6 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
384
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

4 Information Sources

CONTENTS