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Substance Name: 2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, compd. with (E)-3-(2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl)phenol (1:2)
RN: 42408-84-4
InChIKey: WOLNKRPOIGWGSY-QEFJDTIGSA-N

Molecular Formula

  • C23-H16-O6.2C13-H16-N2-O

Molecular Weight

  • 820.9382
 
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Names and Synonyms

  • 2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, compd. with (E)-3-(2-(1,4,5,6-tetrahydro-1-methyl-2-pyrimidinyl)ethenyl)phenol (1:2)

Registry Numbers

CAS Registry Number

  • 42408-84-4

System Generated Number

  • 0042408844

Molecular Formulas

Molecular Formula

  • C23-H16-O6.2C13-H16-N2-O

Molecular Formula Fragments

  • C13-H16-N2-O
  • C23-H16-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C23H16O6.2C13H16N2O/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*2,4-7,10,16H,3,8-9H2,1H3/b;2*7-6+

InChIKey

WOLNKRPOIGWGSY-QEFJDTIGSA-N

Smiles

CN1C(=NCCC1)/C=C/c2cc(ccc2)O.CN1C(=NCCC1)/C=C/c2cc(ccc2)O.c1cc2c(c(c(c(c2)C(=O)O)O)Cc3c(c(cc4c3cccc4)C(=O)O)O)cc1