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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
organooxygen compound > ester > sulfuric ester > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > aryl sulfate > 3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid

Preferred term

3-(3,4-dimethoxyphenyl)-n-/{2-[3-methoxy-4-(sulfooxy)phenyl]ethyl/}propanimidic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H25NO8S

inchi

  • InChI=1S/C20H25NO8S/c1-26-16-7-4-14(12-18(16)27-2)6-9-20(22)21-11-10-15-5-8-17(19(13-15)28-3)29-30(23,24)25/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,21,22)(H,23,24,25)

inchikey

  • APTHYSRHTYKTBZ-UHFFFAOYSA-N

mass

  • 439.480

monoisotopicmass

  • 439.13009

smiles

  • S(OC1=C(OC)C=C(CCNC(=O)CCC2=CC(OC)=C(OC)C=C2)C=C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [4-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-methoxyphenyl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169548

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