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Substance Name: Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 7'-ethyl-6'-(3-(7'-ethylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol)-6'(7'H)-ylidene)-2-methyl-1-propen-1-yl)-, iodide (1:1)
RN: 65104-21-4
InChIKey: UTTUSWSRDSIDRB-UHFFFAOYSA-M

Molecular Formula

  • C34-H39-N2-O4-S2.I

Molecular Weight

  • 730.7241
 
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Names and Synonyms

Synonym

  • 7'-Ethyl-6'-(3-)7'-ethyl-6',7'-dihydrospiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazol-6'-ylidene)-2-methyl-1-propenyl)spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium iodide

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 65104-21-4

System Generated Number

  • 0065104214

Molecular Formulas

Molecular Formula

  • C34-H39-N2-O4-S2.I

Molecular Formula Fragments

  • C34-H39-N2-O4-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H39N2O4S2.HI/c1-4-35-23-18-25-27(39-33(37-25)12-8-6-9-13-33)20-29(23)41-31(35)16-22(3)17-32-36(5-2)24-19-26-28(21-30(24)42-32)40-34(38-26)14-10-7-11-15-34;/h16-21H,4-15H2,1-3H3;1H/q+1;/p-1

InChIKey

UTTUSWSRDSIDRB-UHFFFAOYSA-M

Smiles

CC[n+]1c2cc3c(cc2sc1/C=C(\C)/C=C/4\N(c5cc6c(cc5S4)OC7(O6)CCCCC7)CC)OC8(O3)CCCCC8.[I-]