Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O.COC1=CC(=CC(OC)=C1OC)C(=O)OCCN1CCN(CCC=C2C3=CC=CC=C3CSC3=C2C=C(Cl)C=C3)CC1

InChIKey

InChIKey=OCIZSBOVSAMHFI-UHFFFAOYSA-N

Formula

C41H45ClN2O13S

Mass

841.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Dibenzothiepins

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzothiepins

Alternative Parents

Molecular Framework

Not available

Substituents

Dibenzothiepin - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Benzoyl - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - N-alkylpiperazine - 1,4-diazinane - Aryl chloride - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Unsaturated fatty acid - Piperazine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Ether - Azacycle - Carboxylic acid - Thioether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.

External Descriptors

Not available

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