Compound Identification
SMILES
O.O.[Cu].[Cu].[Cu].[Cu].[Cu].C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1[N-]C=CC=C1.OC(=O)C1CC(CC(C1)S(O)(=O)=O)C(O)=O.OC(=O)C1=CC(=CC(=C1)C(O)=O)S(O)(=O)=O
InChIKey
InChIKey=BEXDLQPLMYQROJ-UHFFFAOYSA-N
Formula
C66H118Cu5N10O16S2
Mass
1689.58
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
Benzenesulfonic acids and derivatives
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Level 5
Sulfobenzoic acids
- Level 6 3-sulfobenzoic acids
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Level 5
Sulfobenzoic acids
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Subclass
Benzenesulfonic 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
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Sulfobenzoic acids
Direct Parent
3-sulfobenzoic acids
Alternative Parents
M-phthalic acid and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids Benzoyl derivatives Dihydropyridines Dicarboxylic acids and derivatives Piperidines Sulfonyls Organosulfonic acids Alkanesulfonic acids Organic transition metal salts Carboxylic acids Carbene-type 1,3-dipolar compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organic anions
Molecular Framework
Not available
Substituents
3-sulfobenzoic acid - Meta_phthalic_acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Dihydropyridine - Piperidine - Dicarboxylic acid or derivatives - Hydropyridine - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Organosulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic transition metal salt - Organoheterocyclic compound - Carbene-type 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.
External Descriptors
Not available