[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate

C26H18O8S2 — CID 22903213

IUPAC[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate
SMILESO=S(=O)(Oc1ccc2cc3ccccc3cc2c1OS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C26H18O8S2/c27-20-6-10-22(11-7-20)35(29,30)33-25-14-5-19-15-17-3-1-2-4-18(17)16-24(19)26(25)34-36(31,32)23-12-8-21(28)9-13-23/h1-16,27-28H
InChIKeyHTFWHRBSJVWORQ-UHFFFAOYSA-N
MW522.56 g/mol
LogP4.94
Rot. Bonds6

About [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate

[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate (PubChem CID 22903213) has the molecular formula C26H18O8S2 and a molecular weight of 522.56 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate
PubChem CID22903213
Molecular FormulaC26H18O8S2
Molecular Weight522.56 g/mol
Exact Mass522.04
IUPAC Name[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate
SMILESO=S(=O)(Oc1ccc2cc3ccccc3cc2c1OS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C26H18O8S2/c27-20-6-10-22(11-7-20)35(29,30)33-25-14-5-19-15-17-3-1-2-4-18(17)16-24(19)26(25)34-36(31,32)23-12-8-21(28)9-13-23/h1-16,27-28H
InChIKeyHTFWHRBSJVWORQ-UHFFFAOYSA-N
XLogP4.94
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

anthracen-1-yl anthracene-1-sulfonate
CID 174423512
sodium 4-(benzenesulfonyloxy)naphthalene-2-sulfonate
CID 23715179
dianthracen-1-yl 3,6-dioxocyclohexa-1,4-diene-1,2-disulfonate
CID 174450119
1-iodosulfonyloxyanthracene
CID 174474956
(3-hydroxy-1-iodonaphthalen-2-yl) 4-methylbenzenesulfonate
CID 88619400
4-(4-methylphenyl)sulfonyloxynaphthalene-1-sulfonic acid
CID 22352898
[5,10-bis[(3-hydroxy-4-methylphenyl)sulfonyloxy]anthracen-1-yl] 3-hydroxy-4-methylbenzenesulfonate
CID 22903235
CID 173016081
CID 173016081
anthracen-1-yl 4-hydroxybenzoate
CID 159973907
4-(benzenesulfonyloxy)naphthalene-2-sulfonic acid;ethane;methanamine
CID 91179025
[4-(phenylsulfamoyl)phenyl] 4-hydroxybenzenesulfonate
CID 11384184
methyl 4-(4-methylphenyl)sulfonyloxynaphthalene-2-carboxylate
CID 11013717

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate?
The IUPAC name of [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate (CID 22903213) is [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate.
What is the SMILES notation for [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate?
The canonical SMILES for [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate is O=S(=O)(Oc1ccc2cc3ccccc3cc2c1OS(=O)(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate?
The InChIKey is HTFWHRBSJVWORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O8S2/c27-20-6-10-22(11-7-20)35(29,30)33-25-14-5-19-15-17-3-1-2-4-18(17)16-24(19)26(25)34-36(31,32)23-12-8-21(28)9-13-23/h1-16,27-28H.
What are the key properties of [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate?
[1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate has a molecular weight of 522.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)sulfonyloxyanthracen-2-yl] 4-hydroxybenzenesulfonate is sourced from PubChem (CID 22903213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).