Structure Information
Structure

Compound Identification

SMILES

OCCCCC1C=C2C3C(C1CCCCO)C1=C(OC3(OCC=C)C(CC2=NOCC2=CC=C(C=C2)[N+]([O-])=O)SC2CCCC2)C=CC(OC(=O)NCC2=CC=CC=C2)=C1

InChIKey

InChIKey=XBHNTYSTCVCLBT-UHFFFAOYSA-N

Formula

C47H57N3O9S

Mass

840.05

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzopyrans

Subclass

1-benzopyrans

Intermediate Tree Nodes

Dibenzopyrans

Direct Parent

Xanthenes

Alternative Parents

Nitrobenzenes Nitroaromatic compounds Ketals Carbamate esters Oxime ethers Sulfenyl compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthene - Nitrobenzene - Nitroaromatic compound - Ketal - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - C-nitro compound - Oxime ether - Organic nitro compound - Acetal - Organic oxoazanium - Thioether - Oxacycle - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Primary alcohol - Organic oxide - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxygen compound - Organopnictogen compound - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.

External Descriptors

Not available

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