Compound Identification
SMILES
COC1=C(OC)C=C(C=NC2=CC=CC3=C2C=C(OS(=O)(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C3)C(Br)=C1
InChIKey
InChIKey=BMDLKQVHHYQDSC-UHFFFAOYSA-N
Formula
C25H19BrN2O7S
Mass
571.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Nitrobenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Nitrobenzenesulfonates
Alternative Parents
p-Bromobenzenesulfonates Benzenesulfonate esters Dimethoxybenzenes Naphthalenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Anisoles Phenoxy compounds Bromobenzenes Alkyl aryl ethers Aryl bromides Organosulfonic acid esters Sulfonyls Shiff bases Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
P-nitrobenzenesulfonate - P-bromobenzenesulfonate - Benzenesulfonate ester - Naphthalene - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Shiff base - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Aldimine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Imine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-nitrobenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a nitro group at the para- position.
External Descriptors
Not available