Summary

IMPPAT Phytochemical identifier: IMPHY017071

Phytochemical name: 2-Ethylnaphthalene

Synonymous chemical names:
2-ethylnaphthalene

External chemical identifiers:
CID:13652, ChEMBL:CHEMBL370944, ZINC:ZINC000001689599, SureChEMBL:SCHEMBL73386, MolPort-003-925-101

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Chemical structure information

SMILES:
CCc1ccc2c(c1)cccc2

InChI:
InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3

InChIKey:
RJTJVVYSTUQWNI-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)cccc6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenanthrenoids

NP Classifier Class: Phenanthrenes

NP-Likeness score: -0.468

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Chemical structure download