Compound Identification
SMILES
CC1=CC(CC2=CC(C)=C(OS(=O)(=O)C3=CC=CC4=C3C=CC([N+]#N)=C4[O-])C=C2C)=C(O)C(CC2=CC(C)=C(OS(=O)(=O)C3=CC=CC4=C3C=CC([N+]#N)=C4[O-])C=C2C)=C1
InChIKey
InChIKey=POBZXGVTMDAYAF-UHFFFAOYSA-N
Formula
C45H36N4O9S2
Mass
840.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives Diphenylmethanes Arylsulfonic acids and derivatives p-Xylenes Phenoxy compounds Para cresols Toluenes Phenoxides Organosulfonic acid esters Sulfonyls Organic diazonium salts Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organooxygen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Naphthalene sulfonate - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonate - Diphenylmethane - Naphthalene - Arylsulfonic acid or derivatives - P-cresol - Phenoxy compound - P-xylene - Xylene - Phenol - Toluene - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available