Structure Information
Structure

Compound Identification

SMILES

[Ca++].OC(C([O-])=O)C1=CC=C(O)C=C1.OC(C([O-])=O)C1=CC=C(O)C=C1

InChIKey

InChIKey=CPPFJLZAZJDRQL-UHFFFAOYSA-L

Formula

C16H14CaO8

Mass

374.358

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenols

Subclass

1-hydroxy-2-unsubstituted benzenoids

Intermediate Tree Nodes

Not available

Direct Parent

1-hydroxy-2-unsubstituted benzenoids

Alternative Parents

Benzene and substituted derivatives Secondary alcohols Carboxylic acid salts Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic cations

Molecular Framework

Not available

Substituents

1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Alcohol - Aromatic alcohol - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.

External Descriptors

Not available

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