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Substance Name: Benzothiazolium, 3-(3-hydroxypropyl)-2-(3-(3-(3-hydroxypropyl)-5-methoxy-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methoxy-, iodide (1:1)
RN: 63123-36-4
InChIKey: FQPTWMOIDJRKIA-UHFFFAOYSA-M

Molecular Formula

  • C26-H31-N2-O4-S2.I

Molecular Weight

  • 626.573
 
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Names and Synonyms

Synonym

  • EINECS 263-880-7

Systematic Names

  • 3-(3-Hydroxypropyl)-2-(3-(3-(3-hydroxypropyl)-5-methoxy-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5-methoxybenzothiazolium iodide
  • Benzothiazolium, 3-(3-hydroxypropyl)-2-(3-(3-(3-hydroxypropyl)-5-methoxy-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl)-5-methoxy-, iodide (1:1)
  • Benzothiazolium, 3-(3-hydroxypropyl)-2-(3-(3-(3-hydroxypropyl)-5-methoxy-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl)-5-methoxy-, iodide

Registry Numbers

CAS Registry Number

  • 63123-36-4

System Generated Number

  • 0063123364

Molecular Formulas

Molecular Formula

  • C26-H31-N2-O4-S2.I

Molecular Formula Fragments

  • C26-H31-N2-O4-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H31N2O4S2.HI/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1

InChIKey

FQPTWMOIDJRKIA-UHFFFAOYSA-M

Smiles

[IH-].C(\C(=C\c1[n+](c2cc(ccc2s1)OC)CCCO)C)=C1\Sc2ccc(cc2N1CCCO)OC