3-(4-Methoxy-3-nitrobenzylsulfonyl)-7-methoxy-2H-chromen-2-one

HCID 11675810
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Basic information

Standard SMILES
COc1ccc2cc(S(=O)(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)oc2c1
InChIKey
UNUCPCJHRSLKGM-UHFFFAOYSA-N
Molecular formula
C18H15NO8S
Average molar mass
405.4 g/mol
Monoisotopic mass
405.05183761

Names & identifiers

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

Names & synonyms

SCHEMBL830580UNUCPCJHRSLKGM-UHFFFAOYSA-N3-(4-methoxy-3-nitro-benzylsulfonyl)-7-methoxy-2H-chromen-2-one3-(4-Methoxy-3-nitrobenzylsulfonyl)-7-methoxy-2H-chromen-2-one

Database identifiers

PubChem CID
11675810

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
133 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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