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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-, bromide (1:1)
RN: 61891-20-1
InChIKey: QEKPQVSDOJGSHZ-UHFFFAOYSA-M

Molecular Formula

  • C26-H31-N2-O4-S2.Br

Molecular Weight

  • 579.577
 
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Names and Synonyms

Synonym

  • EINECS 263-302-3

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 61891-20-1

System Generated Number

  • 0061891201

Molecular Formulas

Molecular Formula

  • C26-H31-N2-O4-S2.Br

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C26H31N2O4S2.BrH/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

QEKPQVSDOJGSHZ-UHFFFAOYSA-M

Smiles

s1c2ccc(OC)cc2[n+](c1\C=C(/C=C1/Sc2ccc(cc2N1CCCO)OC)C)CCCO.[BrH-]