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Substance Name: 2-(2-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)-3,6-dimethylbenzoxazolium iodide
RN: 83803-40-1
InChIKey: GPVYQDNKNPIAPF-UHFFFAOYSA-M

Molecular Formula

  • C32-H31-N4-O3.I

Molecular Weight

  • 646.5219
 
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Names and Synonyms

Synonym

  • EINECS 280-857-7

Systematic Name

  • 2-(2-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl)-3,6-dimethylbenzoxazolium iodide

Registry Numbers

CAS Registry Number

  • 83803-40-1

System Generated Number

  • 0083803401

Molecular Formulas

Molecular Formula

  • C32-H31-N4-O3.I

Molecular Formula Fragments

  • C32-H31-N4-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C32H31N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19H,1-6H3;1H/q+1;/p-1

InChIKey

GPVYQDNKNPIAPF-UHFFFAOYSA-M

Smiles

Cc1ccc2c(c1)oc([n+]2C)/C=C(/C=C/3\N(c4ccc(cc4O3)C)C)\c5c(n(n(c5=O)c6ccccc6)C)C.[I-]