Compound Identification
SMILES
CC1=C(C)C2=C(C3=CC(C)=C(OS(=O)(=O)C4=CC(O)=C(C=C4)C(=O)OC(C)(C)C)C(C)=C3)C3=CC=CC=C3C(Br)=C2S1
InChIKey
InChIKey=KUVDDYAYVJBOEE-UHFFFAOYSA-N
Formula
C33H31BrO6S2
Mass
667.63
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
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
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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 Benzenesulfonate esters o-Hydroxybenzoic acid esters Arylsulfonic acids and derivatives 1-benzothiophenes Benzenesulfonyl compounds m-Xylenes Phenoxy compounds Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Aryl bromides Thiophenes Vinylogous acids Sulfonyls Heteroaromatic compounds Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthothiophene - Sulfosalicylic acid or derivatives - O-hydroxybenzoic acid ester - Benzenesulfonate ester - Benzoate ester - Naphthalene - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzothiophene - 1-benzothiophene - Benzenesulfonyl group - Phenoxy compound - Benzoyl - M-xylene - Xylene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl bromide - Organosulfonic acid ester - Heteroaromatic compound - Vinylogous acid - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organooxygen compound - Organosulfur compound - 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