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Substance Name: 4-Hydroxyisophthalic acid, compound with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
RN: 85409-43-4
InChIKey: UBUHSBGXXFERKU-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N3-O.C8-H6-O5

Molecular Weight

  • 413.4277
 
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Names and Synonyms

Synonym

  • EINECS 287-112-5

Systematic Name

  • 4-Hydroxyisophthalic acid, compound with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)

Registry Numbers

CAS Registry Number

  • 85409-43-4

System Generated Number

  • 0085409434

Molecular Formulas

Molecular Formula

  • C13-H17-N3-O.C8-H6-O5

Molecular Formula Fragments

  • C13-H17-N3-O
  • C8-H6-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17N3O.C8H6O5/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h5-9H,1-4H3;1-3,9H,(H,10,11)(H,12,13)

InChIKey

UBUHSBGXXFERKU-UHFFFAOYSA-N

Smiles

Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C.c1cc(c(cc1C(=O)O)C(=O)O)O