(5,6-dioxo-2,3,5,6-tetrahydronaphtho[1,2-b][1,4]oxathiin-2-yl)methyl Methanesulfonate

HCID 57775490
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Basic information

Standard SMILES
CS(=O)(=O)OCC1CSC2=C(O1)c1ccccc1C(=O)C2=O
InChIKey
XKOAPJDNNJXDCF-UHFFFAOYSA-N
Molecular formula
C14H12O6S2
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
(5,6-dioxo-2,3,5,6-tetrahydronaphtho[1,2-b][1,4]oxathiin-2-yl)methyl Methanesulfonate
IUPAC
(5,6-dioxo-2,3-dihydrobenzo[h][1,4]benzoxathiin-2-yl)methyl methanesulfonate

Names & synonyms

SCHEMBL1362602XKOAPJDNNJXDCF-UHFFFAOYSA-N(5,6-dioxo-2,3,5,6-tetrahydronaphtho[1,2-b][1,4]oxathiin-2-yl)methyl Methanesulfonate

Database identifiers

PubChem CID
57775490

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
120 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
22

Related reactions

4 records
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Compound notes

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