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Substance Name: 2-((3-Allyl-5-((1-methyl-1H-quinolin-4-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)methyl)-3-ethyl-5-phenylbenzoxazolium p-toluenesulphonate
RN: 84455-42-5
InChIKey: RRLCWFICVJFKLZ-KXJWJLBSSA-N

Molecular Formula

  • C34-H30-N3-O2-S.C7-H7-O3-S

Molecular Weight

  • 717.9071
 
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Names and Synonyms

Synonym

  • EINECS 282-903-1

Systematic Name

  • 2-((3-Allyl-5-((1-methyl-1H-quinolin-4-ylidene)ethylidene)-4-oxothiazolidin-2-ylidene)methyl)-3-ethyl-5-phenylbenzoxazolium p-toluenesulphonate

Registry Numbers

CAS Registry Number

  • 84455-42-5

System Generated Number

  • 0084455425

Molecular Formulas

Molecular Formula

  • C34-H30-N3-O2-S.C7-H7-O3-S

Molecular Formula Fragments

  • C34-H30-N3-O2-S
  • C7-H7-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C34H30N3O2S.C7H8O3S/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-19,21-23H,1,5,20H2,2-3H3;2-5H,1H3,(H,8,9,10)/b25-16+,31-18+,33-23-;

InChIKey

RRLCWFICVJFKLZ-KXJWJLBSSA-N

Smiles

CCN1=C(Oc2c1cc(cc2)c3ccccc3)/C=c\4/n(c(=O)/c(=C\C=C\5/C=CN(c6c5cccc6)C)/s4)CC=C.Cc1ccc(cc1)S(=O)(=O)O