dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide

C14H9Li2O6S2- — CID 58463001

IUPACdilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide
SMILESO=S([O-])c1ccc2cc3ccc(S(=O)(=O)[O-])cc3cc2c1.[Li+].[Li+].[OH-]
InChIInChI=1S/C14H10O5S2.2Li.H2O/c15-20(16)13-3-1-9-5-10-2-4-14(21(17,18)19)8-12(10)6-11(9)7-13;;;/h1-8H,(H,15,16)(H,17,18,19);;;1H2/q;2*+1;/p-3
InChIKeyQCUAIZFBHUAKRX-UHFFFAOYSA-K
MW351.24 g/mol
LogP-4.03
Rot. Bonds2

About dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide

dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide (PubChem CID 58463001) has the molecular formula C14H9Li2O6S2- and a molecular weight of 351.24 g/mol. Its IUPAC name is dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide.

Molecular Properties

Compound Namedilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide
PubChem CID58463001
Molecular FormulaC14H9Li2O6S2-
Molecular Weight351.24 g/mol
Exact Mass351.02
IUPAC Namedilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide
SMILESO=S([O-])c1ccc2cc3ccc(S(=O)(=O)[O-])cc3cc2c1.[Li+].[Li+].[OH-]
InChIInChI=1S/C14H10O5S2.2Li.H2O/c15-20(16)13-3-1-9-5-10-2-4-14(21(17,18)19)8-12(10)6-11(9)7-13;;;/h1-8H,(H,15,16)(H,17,18,19);;;1H2/q;2*+1;/p-3
InChIKeyQCUAIZFBHUAKRX-UHFFFAOYSA-K
XLogP-4.03
TPSA127.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 5-4.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide
CID 58462977
6,7-diiodonaphthalene-2-sulfonate
CID 177131444
6-sulfinonaphthalene-2-sulfinate
CID 59930954
potassium 6,7-dimethylnaphthalene-2-sulfonate
CID 101323807
hexakis(ethane-1,2-diamine);bis(naphthalene-2,6-disulfonate);bis(nickel(2+));dihydrate
CID 139066976
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
anthracene-2,6-disulfonate;bis(diaminomethylideneazanium);pyrene
CID 139120228
sodium 6,7-dipropylnaphthalene-2-sulfonate
CID 101324973
disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177

Frequently Asked Questions

What is the IUPAC name of dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide?
The IUPAC name of dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide (CID 58463001) is dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide.
What is the SMILES notation for dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide?
The canonical SMILES for dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide is O=S([O-])c1ccc2cc3ccc(S(=O)(=O)[O-])cc3cc2c1.[Li+].[Li+].[OH-].
What is the InChIKey of dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide?
The InChIKey is QCUAIZFBHUAKRX-UHFFFAOYSA-K. The full InChI is InChI=1S/C14H10O5S2.2Li.H2O/c15-20(16)13-3-1-9-5-10-2-4-14(21(17,18)19)8-12(10)6-11(9)7-13;;;/h1-8H,(H,15,16)(H,17,18,19);;;1H2/q;2*+1;/p-3.
What are the key properties of dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide?
dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide has a molecular weight of 351.24 g/mol, XLogP of -4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide is sourced from PubChem (CID 58463001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).