Compound Identification
SMILES
CSCCC(N=C(O)C(CC1=CNC2=CC=CC=C12)N=C(O)CN=C(O)C(N=C(O)C(CC1=CC=C(OS(O)(=O)=O)C=C1)N=C(O)C(CC(O)=O)N=C(O)C(N)CCCNC(N)=N)C(C)C)C(O)=NC(CC(O)=O)C(O)=NC(CC1=CC=CC=C1)C(O)=N
InChIKey
InChIKey=XABUVDVSEMIDIN-UHFFFAOYSA-N
Formula
C55H74N14O17S2
Mass
1267.4
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic sulfuric acids and derivatives
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Subclass
Arylsulfates
- Level 5 Phenylsulfates
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Subclass
Arylsulfates
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Class
Organic sulfuric acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfuric acids and derivatives
Subclass
Arylsulfates
Intermediate Tree Nodes
Not available
Direct Parent
Phenylsulfates
Alternative Parents
Amphetamines and derivatives Indoles Phenoxy compounds Sulfuric acid monoesters Dicarboxylic acids and derivatives Pyrrolines Pyrroles Heteroaromatic compounds Guanidines Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Dialkylamines Carboxylic acids Carboximidic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylsulfate - Amphetamine or derivatives - Indole or derivatives - Indole - Phenoxy compound - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Pyrroline - Pyrrole - Amino acid - Guanidine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Imine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
External Descriptors
Not available