Summary

IMPPAT Phytochemical identifier: IMPHY004123

Phytochemical name: p-((p-(Heptylamino)phenyl)azo)benzenearsonic acid

Synonymous chemical names:
petersilienapiol

External chemical identifiers:
CID:3027206

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Chemical structure information

SMILES:
CCCCCCCNc1ccc(cc1)/N=N/c1ccc(cc1)[As](=O)(O)O

InChI:
InChI=1S/C19H26AsN3O3/c1-2-3-4-5-6-15-21-17-11-13-19(14-12-17)23-22-18-9-7-16(8-10-18)20(24,25)26/h7-14,21H,2-6,15H2,1H3,(H2,24,25,26)/b23-22+

InChIKey:
WREWJGSZGFOFNS-GHVJWSGMSA-N

DeepSMILES:
CCCCCCCNcccccc6))/N=N/cccccc6))[As]=O)O)O

Functional groups:
c/N=N/c, cNC, c[As](=O)(O)O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(N=Nc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(NNC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azobenzenes

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.488

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Chemical structure download