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Substance Name: Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(2-((7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)methyl)-1-buten-1-yl)-, iodide (1:1)
RN: 65104-20-3
InChIKey: PKMABCNBVALBNV-UHFFFAOYSA-M

Molecular Formula

  • C35-H41-N2-O4-S2.I

Molecular Weight

  • 744.751
 
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Names and Synonyms

  • Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(2-((7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)methyl)-1-buten-1-yl)-, iodide (1:1)
  • Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(2-((7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)methyl)-1-butenyl)-, iodide

Registry Numbers

CAS Registry Number

  • 65104-20-3

System Generated Number

  • 0065104203

Molecular Formulas

Molecular Formula

  • C35-H41-N2-O4-S2.I

Molecular Formula Fragments

  • C35-H41-N2-O4-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C35H41N2O4S2.HI/c1-4-23(17-32-36(5-2)24-19-26-28(21-30(24)42-32)40-34(38-26)13-9-7-10-14-34)18-33-37(6-3)25-20-27-29(22-31(25)43-33)41-35(39-27)15-11-8-12-16-35;/h17-22H,4-16H2,1-3H3;1H/q+1;/p-1

InChIKey

PKMABCNBVALBNV-UHFFFAOYSA-M

Smiles

C1CCCCC21Oc1cc3sc(\C=C(/C=C4/Sc5cc6OC7(CCCCC7)Oc6cc5N4CC)CC)[n+](c3cc1O2)CC.[IH-]