Compound Identification
SMILES
CCOC(=O)C1=C(SC2=C1C1=C(CCC2)C=CC(=C1)[N+]([O-])=O)N1C(=O)C2=CC3=C(C=C2C1=O)C(=O)N(C3=O)C1=C(C(=O)OCC)C2=C(CCCC3=C2C=C(C=C3)[N+]([O-])=O)S1
InChIKey
InChIKey=KXUJSQUBUHOPAV-UHFFFAOYSA-N
Formula
C42H30N4O12S2
Mass
846.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Isoindolones Isoindoles Thiophene carboxylic acids and derivatives Nitroaromatic compounds Benzenoids Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Isoindolone - Isoindole - Isoindole or derivatives - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Thiophene - Lactam - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available