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Substance Name: Sodium methyl 1,2,5,6-tetrahydro-1-(2-(4-methoxyphenyl)ethyl)-4-oxidonicotinate
RN: 84946-11-2
InChIKey: CPZCCTFNMNIGLI-UHFFFAOYSA-M

Molecular Formula

  • C16-H21-N-O4.Na

Molecular Weight

  • 313.327
 
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Names and Synonyms

Synonym

  • EINECS 284-614-6

Systematic Name

  • Sodium methyl 1,2,5,6-tetrahydro-1-(2-(4-methoxyphenyl)ethyl)-4-oxidonicotinate

Registry Numbers

CAS Registry Number

  • 84946-11-2

System Generated Number

  • 0084946112

Molecular Formulas

Molecular Formula

  • C16-H21-N-O4.Na

Molecular Formula Fragments

  • C16-H21-N-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H21NO4.Na/c1-20-13-5-3-12(4-6-13)7-9-17-10-8-15(18)14(11-17)16(19)21-2;/h3-6,18H,7-11H2,1-2H3;/q;+1/p-1

InChIKey

CPZCCTFNMNIGLI-UHFFFAOYSA-M

Smiles

COc1ccc(cc1)CCN2CCC(=C(C2)C(=O)OC)[O-].[Na+]