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Substance Name: 2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester, mixt. with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
RN: 72539-73-2
InChIKey: LPCSMHILQXRUDB-UHFFFAOYSA-N

Molecular Formula

  • C15-H18-N2-O6.C9-H8-Cl3-N-O2-S

Molecular Weight

  • 622.907
 
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Names and Synonyms

Synonym

  • Captan-binepacryl mixt.

Systematic Name

  • 2-Butenoic acid, 3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester, mixt. with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione

Registry Numbers

CAS Registry Number

  • 72539-73-2

System Generated Number

  • 0072539732

Molecular Formulas

Molecular Formula

  • C15-H18-N2-O6.C9-H8-Cl3-N-O2-S

Molecular Formula Fragments

  • C15-H18-N2-O6
  • C9-H8-Cl3-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H18N2O6.C9H8Cl3NO2S/c1-5-10(4)12-7-11(16(19)20)8-13(17(21)22)15(12)23-14(18)6-9(2)3;10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h6-8,10H,5H2,1-4H3;1-2,5-6H,3-4H2

InChIKey

LPCSMHILQXRUDB-UHFFFAOYSA-N

Smiles

C(\C=C(\C)C)(=O)Oc1c([C@@H](CC)C)cc([N+](=O)[O-])cc1[N+](=O)[O-].C1(N(C([C@@H]2CC=CC[C@@H]12)=O)SC(Cl)(Cl)Cl)=O