Compound Identification
SMILES
CCCC(=O)OC1=C(C=CC(=C1)S(=O)(=O)OC1=C(C)C=C(C=C1C)C1=C2C(C)=C(C)SC2=C(Br)C2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=QWQRNLVBLJZQGQ-UHFFFAOYSA-N
Formula
C33H29BrO7S2
Mass
681.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Sulfosalicylic acids and derivatives
Alternative Parents
Naphthothiophenes Acylsalicylic acids Benzenesulfonate esters Phenol esters 1-benzothiophenes Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids m-Xylenes Phenoxy compounds Benzoyl derivatives Fatty acid esters Aryl bromides Organosulfonic acid esters Sulfonyls Thiophenes Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthothiophene - Sulfosalicylic acid or derivatives - Acylsalicylic acid or derivatives - Acylsalicylic acid - Benzenesulfonate ester - Naphthalene - Phenol ester - Benzenesulfonate - Benzothiophene - 1-benzothiophene - Benzenesulfonyl group - Benzoic acid - Arylsulfonic acid or derivatives - Phenoxy compound - Benzoyl - Xylene - M-xylene - Fatty acid ester - Aryl bromide - Organosulfonic acid ester - Aryl halide - Fatty acyl - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organobromide - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sulfosalicylic acids and derivatives. These are salicylic acids (or derivatives thereof) with a sulfate group attached to the benzene ring.
External Descriptors
Not available