Compound Identification
SMILES
[O-]C(=O)C1C[C@@H](OCC2=CC=CC=C2)C(CO1)OS([O-])(=O)=O.C(OCC1=CC=CC=C1)C1CCC[C@@H](C1)OCC1=CC=CC=C1.CC(=O)NC1COC(COS([O-])(=O)=O)C[C@H]1OCC1=CC=CC=C1.CC(=O)NC1COC(COS([O-])(=O)=O)C[C@H]1OCC1=CC=CC=C1.[O-]OOSO[C@@H]1[C@@H](OCC2=CC=CC=C2)C(COC1C([O-])=O)OS([O-])(=O)=O
InChIKey
InChIKey=GYDBPGKRUJUQCL-UUWVYRPQSA-G
Formula
C77H93N2O36S5
Mass
1782.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzylethers
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylethers
Intermediate Tree Nodes
Not available
Direct Parent
Benzylethers
Alternative Parents
Sulfuric acid monoesters Pyrans Oxanes Alkyl sulfates Acetamides Secondary carboxylic acid amides Carboxylic acid salts Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Not available
Substituents
Benzylether - Oxane - Pyran - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Acetamide - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors
Not available