10-oxo-9H-anthracene-2,6-disulfonic acid

C14H10O7S2 — CID 169091723

IUPAC10-oxo-9H-anthracene-2,6-disulfonic acid
SMILESO=C1c2ccc(S(=O)(=O)O)cc2Cc2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H10O7S2/c15-14-12-4-3-10(22(16,17)18)6-9(12)5-8-1-2-11(7-13(8)14)23(19,20)21/h1-4,6-7H,5H2,(H,16,17,18)(H,19,20,21)
InChIKeyWTFYAHAPQZPRPM-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.32
Rot. Bonds2

About 10-oxo-9H-anthracene-2,6-disulfonic acid

10-oxo-9H-anthracene-2,6-disulfonic acid (PubChem CID 169091723) has the molecular formula C14H10O7S2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 10-oxo-9H-anthracene-2,6-disulfonic acid.

Molecular Properties

Compound Name10-oxo-9H-anthracene-2,6-disulfonic acid
PubChem CID169091723
Molecular FormulaC14H10O7S2
Molecular Weight354.36 g/mol
Exact Mass353.99
IUPAC Name10-oxo-9H-anthracene-2,6-disulfonic acid
SMILESO=C1c2ccc(S(=O)(=O)O)cc2Cc2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H10O7S2/c15-14-12-4-3-10(22(16,17)18)6-9(12)5-8-1-2-11(7-13(8)14)23(19,20)21/h1-4,6-7H,5H2,(H,16,17,18)(H,19,20,21)
InChIKeyWTFYAHAPQZPRPM-UHFFFAOYSA-N
XLogP1.32
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 88515722
CID 88515722
9,10-dihydroanthracene-2,6-disulfonic acid
CID 21114729
9,10-dioxoanthracene-2-sulfonic acid;hydrate
CID 87345179
7-chloro-9,10-dioxoanthracene-2-sulfonic acid
CID 23463689
2-N,7-N-bis(4-hydroxyphenyl)-9-oxo-10H-anthracene-2,7-disulfonamide
CID 140937933
9,10-dioxo-6-sulfoanthracene-2-carboxylic acid
CID 20530067
sodium (2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-indol-2-ylidene)-1H-indene-5-sulfonate
CID 157420375
disodium;9H-fluorene-2,7-disulfonate
CID 21178460
9-methylidenefluorene-2,7-disulfonic acid
CID 130291005
26,27,30,31-tetraoxo-5,11,17,23-tetrasulfopentacyclo[19.3.2.23,7.29,13.215,19]dotriaconta-1(25),3(32),4,6,9,11,13(29),15(28),16,18,21,23-dodecaene-25,28,29,32-tetrolate
CID 102426943
(2Z)-3-oxo-2-(3-oxo-5-sulfo-1H-inden-2-ylidene)-1H-indole-7-sulfonic acid
CID 159306442
1,4-dioxonaphthalene-2,6-disulfonic acid
CID 138620633

Frequently Asked Questions

What is the IUPAC name of 10-oxo-9H-anthracene-2,6-disulfonic acid?
The IUPAC name of 10-oxo-9H-anthracene-2,6-disulfonic acid (CID 169091723) is 10-oxo-9H-anthracene-2,6-disulfonic acid.
What is the SMILES notation for 10-oxo-9H-anthracene-2,6-disulfonic acid?
The canonical SMILES for 10-oxo-9H-anthracene-2,6-disulfonic acid is O=C1c2ccc(S(=O)(=O)O)cc2Cc2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 10-oxo-9H-anthracene-2,6-disulfonic acid?
The InChIKey is WTFYAHAPQZPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O7S2/c15-14-12-4-3-10(22(16,17)18)6-9(12)5-8-1-2-11(7-13(8)14)23(19,20)21/h1-4,6-7H,5H2,(H,16,17,18)(H,19,20,21).
What are the key properties of 10-oxo-9H-anthracene-2,6-disulfonic acid?
10-oxo-9H-anthracene-2,6-disulfonic acid has a molecular weight of 354.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9H-anthracene-2,6-disulfonic acid is sourced from PubChem (CID 169091723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).