3-(4-methoxy-3-nitrobenzylsulfonyl)-5,7-dimethoxy-2H-chromen-2-one

HCID 11626235
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Basic information

Standard SMILES
COc1cc(OC)c2cc(S(=O)(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)oc2c1
InChIKey
IZZNVYXYNGZPPT-UHFFFAOYSA-N
Molecular formula
C19H17NO9S
Average molar mass
435.4 g/mol

Names & identifiers

Preferred name
3-(4-methoxy-3-nitrobenzylsulfonyl)-5,7-dimethoxy-2H-chromen-2-one
IUPAC
5,7-dimethoxy-3-[(4-methoxy-3-nitrophenyl)methylsulfonyl]chromen-2-one

Names & synonyms

SCHEMBL830302IZZNVYXYNGZPPT-UHFFFAOYSA-N3-(4-methoxy-3-nitrobenzylsulfonyl)-5,7-dimethoxy-2H-chromen-2-one

Database identifiers

PubChem CID
11626235

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
142 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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