Compound Identification
SMILES
CC(C)(C)OC(=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
InChIKey
InChIKey=IHCHGDYLYCRMHB-AQLQTECXSA-N
Formula
C30H26N2O14S3
Mass
734.72
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 1-sulfo,2-unsubstituted aromatic compounds Phenoxy compounds Phenol ethers Alkyl aryl ethers Carbonic acid diesters Sulfonyls Organosulfonic acids Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Phenanthrene - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 1-naphthalene sulfonate - Naphthalene sulfonic acid or derivatives - Naphthalene - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid diester - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carbonic acid derivative - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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