magnesium;anthracen-1-yl ethenesulfonate;hydride

C16H14MgO3S — CID 174836320

IUPACmagnesium;anthracen-1-yl ethenesulfonate;hydride
SMILESC=CS(=O)(=O)Oc1cccc2cc3ccccc3cc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C16H12O3S.Mg.2H/c1-2-20(17,18)19-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16;;;/h2-11H,1H2;;;/q;+2;2*-1
InChIKeyCZUQOHPTKOHWDU-UHFFFAOYSA-N
MW310.66 g/mol
LogP3.69
Rot. Bonds3

About magnesium;anthracen-1-yl ethenesulfonate;hydride

magnesium;anthracen-1-yl ethenesulfonate;hydride (PubChem CID 174836320) has the molecular formula C16H14MgO3S and a molecular weight of 310.66 g/mol. Its IUPAC name is magnesium;anthracen-1-yl ethenesulfonate;hydride.

Molecular Properties

Compound Namemagnesium;anthracen-1-yl ethenesulfonate;hydride
PubChem CID174836320
Molecular FormulaC16H14MgO3S
Molecular Weight310.66 g/mol
Exact Mass310.05
IUPAC Namemagnesium;anthracen-1-yl ethenesulfonate;hydride
SMILESC=CS(=O)(=O)Oc1cccc2cc3ccccc3cc12.[H-].[H-].[Mg+2]
InChIInChI=1S/C16H12O3S.Mg.2H/c1-2-20(17,18)19-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16;;;/h2-11H,1H2;;;/q;+2;2*-1
InChIKeyCZUQOHPTKOHWDU-UHFFFAOYSA-N
XLogP3.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

1-iodosulfonyloxyanthracene
CID 174474956
anthracen-1-yl anthracene-1-sulfonate
CID 174423512
dianthracen-1-yl 3,6-dioxocyclohexa-1,4-diene-1,2-disulfonate
CID 174450119
1-anthracen-1-ylperoxyanthracene
CID 87977353
1-prop-2-enoxyanthracene
CID 141089148
anthracen-1-yl formate
CID 22404669
2-ethenylsulfonyloxybenzoic acid
CID 90205575
azane;ethenyl anthracene-1-sulfonate
CID 122612173
(2-cyclopentylphenyl) ethenesulfonate
CID 88574431
CID 159682573
CID 159682573
prop-2-enyl anthracene-1-sulfonate
CID 122611313
CID 122611771
CID 122611771

Frequently Asked Questions

What is the IUPAC name of magnesium;anthracen-1-yl ethenesulfonate;hydride?
The IUPAC name of magnesium;anthracen-1-yl ethenesulfonate;hydride (CID 174836320) is magnesium;anthracen-1-yl ethenesulfonate;hydride.
What is the SMILES notation for magnesium;anthracen-1-yl ethenesulfonate;hydride?
The canonical SMILES for magnesium;anthracen-1-yl ethenesulfonate;hydride is C=CS(=O)(=O)Oc1cccc2cc3ccccc3cc12.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;anthracen-1-yl ethenesulfonate;hydride?
The InChIKey is CZUQOHPTKOHWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S.Mg.2H/c1-2-20(17,18)19-16-9-5-8-14-10-12-6-3-4-7-13(12)11-15(14)16;;;/h2-11H,1H2;;;/q;+2;2*-1.
What are the key properties of magnesium;anthracen-1-yl ethenesulfonate;hydride?
magnesium;anthracen-1-yl ethenesulfonate;hydride has a molecular weight of 310.66 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;anthracen-1-yl ethenesulfonate;hydride is sourced from PubChem (CID 174836320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).