Compound Identification
SMILES
NC1=CC=CC=C1NC(=O)CCCC(=O)NCC1=CC=CC=C1C1=CC=C(C=C1)C1OC(CSC2=CC=CC=C2C(O)=O)CC(O1)C1=CC=C(CO)C=C1
InChIKey
InChIKey=SVLMJTLJQWLGME-UHFFFAOYSA-N
Formula
C43H43N3O7S
Mass
745.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Sulfanylbenzoic acids and derivatives
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Level 6
O-sulfanylbenzoic acids and derivatives
- Level 7 O-sulfanylbenzoic acids
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Level 6
O-sulfanylbenzoic acids and derivatives
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Level 5
Sulfanylbenzoic acids and derivatives
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct Parent
O-sulfanylbenzoic acids
Alternative Parents
Benzoic acids Anilides Thiophenol ethers N-arylamides Benzyl alcohols Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Thia fatty acids Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Alkylarylthioethers Vinylogous thioesters Unsaturated fatty acids N-acyl amines 1,3-dioxanes Thioenol ethers Amino acids Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acid amides Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-sulfanylbenzoic acid - Anilide - Benzoic acid - Aryl thioether - N-arylamide - 1-carboxy-2-haloaromatic compound - Thiophenol ether - Benzyl alcohol - Benzoyl - Alkylarylthioether - Thia fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Vinylogous thioester - Fatty acyl - Fatty acid - Unsaturated fatty acid - N-acyl-amine - Fatty amide - Meta-dioxane - Amino acid - Thioenolether - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors
Not available