1,8-Dihydroxy-2,7-di(4-methoxyphenyl)-4,5-dinitroanthraquinone

HCID 20188050
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cc([N+](=O)[O-])c3c(c2O)C(=O)c2c(O)c(-c4ccc(OC)cc4)cc([N+](=O)[O-])c2C3=O)cc1
InChIKey
VRRWBKZXIVYPOV-UHFFFAOYSA-N
Molecular formula
C28H18N2O10
Average molar mass
542.4 g/mol
Monoisotopic mass
542.09614478

Names & identifiers

Preferred name
1,8-Dihydroxy-2,7-di(4-methoxyphenyl)-4,5-dinitroanthraquinone
IUPAC
1,8-dihydroxy-2,7-bis(4-methoxyphenyl)-4,5-dinitroanthracene-9,10-dione

Names & synonyms

SCHEMBL10783202VRRWBKZXIVYPOV-UHFFFAOYSA-N1,8-dihydroxy-2,7-di(4-methoxyphenyl)-4,5-dinitroanthraquinone

Database identifiers

PubChem CID
20188050

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
185 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
4
Heavy atoms
40

Related reactions

1 records
New reaction record

Compound notes

Loading…