disodium;naphthalene-1,6-disulfonate

C10H6Na2O6S2 — CID 45358177

IUPACdisodium;naphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
InChIKeyFXJFYEOXUWERCL-UHFFFAOYSA-L
MW332.27 g/mol
LogP-5.34
Rot. Bonds2

About disodium;naphthalene-1,6-disulfonate

disodium;naphthalene-1,6-disulfonate (PubChem CID 45358177) has the molecular formula C10H6Na2O6S2 and a molecular weight of 332.27 g/mol. Its IUPAC name is disodium;naphthalene-1,6-disulfonate.

Molecular Properties

Compound Namedisodium;naphthalene-1,6-disulfonate
PubChem CID45358177
Molecular FormulaC10H6Na2O6S2
Molecular Weight332.27 g/mol
Exact Mass331.94
IUPAC Namedisodium;naphthalene-1,6-disulfonate
SMILESO=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2
InChIKeyFXJFYEOXUWERCL-UHFFFAOYSA-L
XLogP-5.34
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 5-5.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;naphthalene-1,6-disulfonate?
The IUPAC name of disodium;naphthalene-1,6-disulfonate (CID 45358177) is disodium;naphthalene-1,6-disulfonate.
What is the SMILES notation for disodium;naphthalene-1,6-disulfonate?
The canonical SMILES for disodium;naphthalene-1,6-disulfonate is O=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cccc2c1.[Na+].[Na+].
What is the InChIKey of disodium;naphthalene-1,6-disulfonate?
The InChIKey is FXJFYEOXUWERCL-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O6S2.2Na/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;naphthalene-1,6-disulfonate?
disodium;naphthalene-1,6-disulfonate has a molecular weight of 332.27 g/mol, XLogP of -5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;naphthalene-1,6-disulfonate is sourced from PubChem (CID 45358177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).