Compound Identification
SMILES
[Na+].[Na+].[Na+].C[C@H](C(=O)OC1=CC=C(\C=N/NC(=O)COC2=CC(=C3C=CC4=C(C=C(C5=C4C3=C2C=C5)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=VQLSYFVJFHQVLD-WXTWHOQLSA-K
Formula
C34H23N2Na3O13S3
Mass
832.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
1-naphthalene sulfonates Phenanthrenes and derivatives 1-naphthalene sulfonic acids and derivatives 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Phenol esters 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfonyls Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Phenanthrene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - 2-naphthalene sulfonate - Naphthalene - Phenol ester - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic alkali metal salt - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic sodium salt - Organic salt - Organic oxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available