Compound Identification
SMILES
CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)\C=C\C(\C)=C\C[C@@H](C[C@@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H]3C[C@@H](OC(C)(C)O3)[C@H](C)[C@H](OC(=O)\C=C\C(\C)=C\C[C@@H](C[C@H]3O[C@@H](CC=C3)C[C@H](OC)[C@@H](C)[C@@H]3C[C@@H](OC(C)(C)O3)[C@@H]2C)OC(=O)C2=CC=C(Br)C=C2)[C@@H](C)[C@@H](OC(=O)C2=CC=C(Br)C=C2)[C@@H](C)CC[C@H]2C[C@@H](C[C@H](C)O2)OC)OC(=O)C2=CC=C(Br)C=C2)C1
InChIKey
InChIKey=RFKPHQWIVMFWQX-UPYASAECSA-N
Formula
C105H149Br3O23
Mass
2019.036
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Pentacarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pentacarboxylic acids and derivatives
Alternative Parents
4-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Ketals Bromobenzenes Pyrans Oxanes 1,3-dioxanes Aryl bromides Enoate esters Secondary alcohols Lactones Oxacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pentacarboxylic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Ketal - Bromobenzene - Halobenzene - Benzenoid - Pyran - Oxane - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Meta-dioxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organobromide - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pentacarboxylic acids and derivatives. These are carboxylic acids containing exactly five carboxyl groups.
External Descriptors
Not available