Compound Identification
SMILES
CC1(C)\C(=C/C=C2\CCCC(\C=C\C3=[N+](CCCCS(O)(=O)=O)C4=C(C=C(C=C4)S(O)(=O)=O)C3(C)C)=C2CC(=O)C2=CC=C(NCC3=CN=C4NC(N)=NC(=O)C4=N3)C=C2)N(CCCCS(O)(=O)=O)C2=C1C=C(C=C2)S(O)(=O)=O
InChIKey
InChIKey=HZGSUZKXNHDXJK-UHFFFAOYSA-O
Formula
C53H61N8O14S4
Mass
1162.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Pterins and derivatives 3-alkylindoles 1-sulfo,2-unsubstituted aromatic compounds Tertiary alkylarylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Phenylalkylamines Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Pyrazines Primary aromatic amines Organosulfonic acids Sulfonyls Vinylogous amides Alkanesulfonic acids Heteroaromatic compounds Azacyclic compounds Enamines Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Pterin - 3-alkylindole - Pteridine - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Indole or derivatives - Tertiary aliphatic/aromatic amine - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Pyrimidone - Aminopyrimidine - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Pyrazine - Primary aromatic amine - Heteroaromatic compound - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Organosulfur compound - Organonitrogen compound - Amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available