Compound Identification
SMILES
CCCC1=C(C(N2C(=O)C(SC2=N1)=CC1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=C(OC)C=CC2=CC=CC=C12)C(=O)OCC
InChIKey
InChIKey=KSUWLKCTHCXXIW-UHFFFAOYSA-N
Formula
C30H26N4O9S
Mass
618.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Nitrophenols
- Level 5 Dinitrophenols
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Subclass
Nitrophenols
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Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Dinitrophenols
Alternative Parents
Naphthalenes Nitrobenzenes Anisoles Nitroaromatic compounds Alkyl aryl ethers Thiazoles Enoate esters Heteroaromatic compounds Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dinitrophenol - Naphthalene - Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Isothiourea - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
External Descriptors
Not available