sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate

C8H13NaO7S3 — CID 59964454

IUPACsodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate
SMILESC=COS(=O)C(CCCS(=O)(=O)[O-])OS(=O)C=C.[Na+]
InChIInChI=1S/C8H14O7S3.Na/c1-3-14-17(10)8(15-16(9)4-2)6-5-7-18(11,12)13;/h3-4,8H,1-2,5-7H2,(H,11,12,13);/q;+1/p-1
InChIKeyDAKOCIWAXWTZNV-UHFFFAOYSA-M
MW340.38 g/mol
LogP-2.71
Rot. Bonds10

About sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate

sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate (PubChem CID 59964454) has the molecular formula C8H13NaO7S3 and a molecular weight of 340.38 g/mol. Its IUPAC name is sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate.

Molecular Properties

Compound Namesodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate
PubChem CID59964454
Molecular FormulaC8H13NaO7S3
Molecular Weight340.38 g/mol
Exact Mass339.97
IUPAC Namesodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate
SMILESC=COS(=O)C(CCCS(=O)(=O)[O-])OS(=O)C=C.[Na+]
InChIInChI=1S/C8H14O7S3.Na/c1-3-14-17(10)8(15-16(9)4-2)6-5-7-18(11,12)13;/h3-4,8H,1-2,5-7H2,(H,11,12,13);/q;+1/p-1
InChIKeyDAKOCIWAXWTZNV-UHFFFAOYSA-M
XLogP-2.71
TPSA109.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

Bis(ethenyl) butane-1,4-disulfonate
CID 21972135
Sodium 3-ethenoxypropane-1-sulfonate
CID 58689638
Ethenyl 3-ethenylsulfinyloxypropane-1-sulfinate
CID 59964465
4-Ethenylsulfonyloxybut-2-ynyl ethenesulfonate
CID 87857202
4-Ethenylsulfonyloxybutyl ethenesulfonate
CID 87857315
[(E)-2-prop-2-enylsulfonyloxyethenyl] prop-2-ene-1-sulfonate
CID 87857476
[(E)-2-prop-2-ynylsulfonyloxyethenyl] prop-2-yne-1-sulfonate
CID 87857545
Ethenyl 4-ethenylsulfinyloxybutane-1-sulfinate
CID 118360317
2-Prop-2-enylsulfonyloxyethenyl prop-2-ene-1-sulfonate
CID 123696788
2-Prop-2-ynylsulfonyloxyethenyl prop-2-yne-1-sulfonate
CID 123900369
Bis(ethenyl) propane-1,3-disulfonate
CID 151103891
Bis(ethenyl) ethane-1,2-disulfonate
CID 152353665

Frequently Asked Questions

What is the IUPAC name of sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate?
The IUPAC name of sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate (CID 59964454) is sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate.
What is the SMILES notation for sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate?
The canonical SMILES for sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate is C=COS(=O)C(CCCS(=O)(=O)[O-])OS(=O)C=C.[Na+].
What is the InChIKey of sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate?
The InChIKey is DAKOCIWAXWTZNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14O7S3.Na/c1-3-14-17(10)8(15-16(9)4-2)6-5-7-18(11,12)13;/h3-4,8H,1-2,5-7H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate?
sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate has a molecular weight of 340.38 g/mol, XLogP of -2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-ethenoxysulfinyl-4-ethenylsulfinyloxybutane-1-sulfonate is sourced from PubChem (CID 59964454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).