Summary

IMPPAT Phytochemical identifier: IMPHY016133

Phytochemical name: 1-Ethenylnaphthalene;2-ethenylnaphthalene

Synonymous chemical names:
1-ethenylnaphthalene

External chemical identifiers:
CID:21317873, SureChEMBL:SCHEMBL3807899

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Chemical structure information

SMILES:
C=Cc1cccc2c1cccc2.C=Cc1ccc2c(c1)cccc2

InChI:
InChI=1S/2C12H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-10-7-8-11-5-3-4-6-12(11)9-10/h2*2-9H,1H2

InChIKey:
WHKQKJYDBPVOLB-UHFFFAOYSA-N

DeepSMILES:
C=Ccccccc6cccc6.C=Ccccccc6)cccc6

Functional groups:
cC=C

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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: -0.012

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Chemical structure download