Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC2=CC(C)=C(OS(=O)(=O)C3=CC=CC4=C3C=CC([N+]#N)=C4O)C=C2C)=C(O)C(CC2=CC(C)=C(OS(=O)(=O)C3=CC=CC4=C3C=CC([N+]#N)=C4O)C=C2C)=C1

InChIKey

InChIKey=POBZXGVTMDAYAF-UHFFFAOYSA-P

Formula

C45H38N4O9S2

Mass

842.94

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

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 - 1-naphthol - Naphthalene - Arylsulfonic acid or derivatives - Phenoxy compound - P-cresol - P-xylene - Xylene - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Phenol - Organosulfonic acid ester - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic diazonium salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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

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