disodium;7-oxido-8-sulfonaphthalene-2-sulfonate

C10H6Na2O7S2 — CID 101310169

IUPACdisodium;7-oxido-8-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccc([O-])c(S(=O)(=O)O)c2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-9-4-2-6-1-3-7(18(12,13)14)5-8(6)10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyASGMORRSYCRSNX-UHFFFAOYSA-L
MW348.27 g/mol
LogP-5.93
Rot. Bonds2

About disodium;7-oxido-8-sulfonaphthalene-2-sulfonate

disodium;7-oxido-8-sulfonaphthalene-2-sulfonate (PubChem CID 101310169) has the molecular formula C10H6Na2O7S2 and a molecular weight of 348.27 g/mol. Its IUPAC name is disodium;7-oxido-8-sulfonaphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;7-oxido-8-sulfonaphthalene-2-sulfonate
PubChem CID101310169
Molecular FormulaC10H6Na2O7S2
Molecular Weight348.27 g/mol
Exact Mass347.94
IUPAC Namedisodium;7-oxido-8-sulfonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2ccc([O-])c(S(=O)(=O)O)c2c1.[Na+].[Na+]
InChIInChI=1S/C10H8O7S2.2Na/c11-9-4-2-6-1-3-7(18(12,13)14)5-8(6)10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyASGMORRSYCRSNX-UHFFFAOYSA-L
XLogP-5.93
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 5-5.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177
sodium 8-propan-2-ylnaphthalene-2-sulfonate
CID 101397504
2-amino-3-hydroxynaphthalene-1,7-disulfonic acid
CID 57310744
3-nitro-4-oxidobenzenesulfonate
CID 3325460
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
sodium;6-amino-7-sulfonaphthalene-2-sulfonate;trihydrate
CID 45047073
dipotassium;6-oxido-1-sulfonaphthalene-2-sulfonate
CID 101310192
sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
CID 87256464
CID 87256464
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
disodium;mercury(1+);4-oxidobenzenesulfonate;4-sulfophenolate
CID 57350658
7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160

Frequently Asked Questions

What is the IUPAC name of disodium;7-oxido-8-sulfonaphthalene-2-sulfonate?
The IUPAC name of disodium;7-oxido-8-sulfonaphthalene-2-sulfonate (CID 101310169) is disodium;7-oxido-8-sulfonaphthalene-2-sulfonate.
What is the SMILES notation for disodium;7-oxido-8-sulfonaphthalene-2-sulfonate?
The canonical SMILES for disodium;7-oxido-8-sulfonaphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2ccc([O-])c(S(=O)(=O)O)c2c1.[Na+].[Na+].
What is the InChIKey of disodium;7-oxido-8-sulfonaphthalene-2-sulfonate?
The InChIKey is ASGMORRSYCRSNX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O7S2.2Na/c11-9-4-2-6-1-3-7(18(12,13)14)5-8(6)10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;7-oxido-8-sulfonaphthalene-2-sulfonate?
disodium;7-oxido-8-sulfonaphthalene-2-sulfonate has a molecular weight of 348.27 g/mol, XLogP of -5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;7-oxido-8-sulfonaphthalene-2-sulfonate is sourced from PubChem (CID 101310169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).