Structure Information
Structure

Compound Identification

SMILES

CC1(C)OC[C@H](CC2=CC(=C(OCC3=CC=CC=C3)C=C2)C2(C=C)C(OC3=C2C=CC=C3Br)SC2=CC=CC=C2)N1C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=NQADZRXWHAEOJO-FOZLPCMYSA-N

Formula

C43H40BrNO5S

Mass

762.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Coumarans

Subclass

1-phenylcoumarans

Intermediate Tree Nodes

Not available

Direct Parent

1-phenylcoumarans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylcoumaran - Benzyloxycarbonyl - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monothioacetal - Oxazolidine - Carbamic acid ester - Oxacycle - Ether - Azacycle - Sulfenyl compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.

External Descriptors

Not available

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