Summary

IMPPAT Phytochemical identifier: IMPHY017730

Phytochemical name: 1,3,5-Triethylbenzene

Synonymous chemical names:
1,3,5-tri ethyl benzene

External chemical identifiers:
CID:7602, ZINC:ZINC000001599298, FDASRS:02K328WWZQ, SureChEMBL:SCHEMBL439074, MolPort-001-788-507

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Chemical structure information

SMILES:
CCc1cc(CC)cc(c1)CC

InChI:
InChI=1S/C12H18/c1-4-10-7-11(5-2)9-12(6-3)8-10/h7-9H,4-6H2,1-3H3

InChIKey:
WJYMPXJVHNDZHD-UHFFFAOYSA-N

DeepSMILES:
CCcccCC))ccc6)CC

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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

NP-Likeness score: -0.133

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Chemical structure download