Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=PVTPEQOZWGLTEA-UHFFFAOYSA-N

Formula

C10H10CaO7S

Mass

314.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Methyl ester - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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