Viewing Compound With Structures

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Compound Report Overview

Compound Name: 3,5-DINITROCATECHOL
Compound Identifier: 707433
Mol Structure 2D: 707433
Molecular Weight: 200
Formula: C6 H4 N2 O6
Development Status: Toxicology standard
SMILES: Oc1cc(cc([N+](=O)[O-])c1O)[N+](=O)[O-]
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222012D 0 0.00000 0.00000 0^^ 14 14 0 0 0 999 V2000^ 0.5292 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.7792 1.8458 0.0000 N 0 3 0 0 0 0 0 0 0^ -0.7125 -2.4792 0.0000 N 0 3 0 0 0 0 0 0 0^ -0.7125 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7125 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9583 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9917 1.1208 0.0000 O 0 5 0 0 0 0 0 0 0^ -1.9458 -3.1542 0.0000 O 0 5 0 0 0 0 0 0 0^ 1.7792 3.2750 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5167 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7125 3.2750 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.2083 1.8458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 6 1 0 0 0^ 4 1 1 0 0 0^ 5 1 2 0 0 0^ 6 5 1 0 0 0^ 7 4 2 0 0 0^ 8 6 2 0 0 0^ 9 2 1 0 0 0^ 10 3 1 0 0 0^ 11 2 2 0 0 0^ 12 3 2 0 0 0^ 13 4 1 0 0 0^ 14 7 1 0 0 0^ 8 7 1 0 0 0^M CHG 4 2 1 3 1 9 -1 10 -1^M END^^
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