Summary

IMPPAT Phytochemical identifier: IMPHY011556

Phytochemical name: Ethyl salicylate

Synonymous chemical names:
ethyl salicylate, ethylsalicylate

External chemical identifiers:
CID:8365, ChEMBL:CHEMBL2251610, ChEBI:88839, ZINC:ZINC000000157490, FDASRS:555U6TZ2MV, SureChEMBL:SCHEMBL39622, MolPort-001-783-866

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Chemical structure information

SMILES:
CCOC(=O)c1ccccc1O

InChI:
InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3

InChIKey:
GYCKQBWUSACYIF-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)cccccc6O

Functional groups:
cC(=O)OC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenolic acids (C6-C1)

NP Classifier Class: Simple phenolic acids

NP-Likeness score: -0.224

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Chemical structure download