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Substance Name: Naphtho(1,2-d)thiazolium, 2-(2-((3-(2-carboxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-1-methyl-, iodide (1:1)
RN: 63870-55-3
InChIKey: CCNCXJODMKBCDS-UHFFFAOYSA-N

Molecular Formula

  • C28-H27-N2-O3-S2.I

Molecular Weight

  • 630.564
 
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Names and Synonyms

Synonym

  • EINECS 264-539-5

Systematic Names

  • 2-(2-((3-(2-Carboxyethyl)-6-methoxy-3H-benzothiazol-2-ylidene)methyl)-1-butenyl)-1-methylnaphtho(1,2-d)thiazolium iodide
  • Naphtho(1,2-d)thiazolium, 2-(2-((3-(2-carboxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-1-methyl-, iodide (1:1)
  • Naphtho(1,2-d)thiazolium, 2-(2-((3-(2-carboxyethyl)-6-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 63870-55-3

System Generated Number

  • 0063870553

Molecular Formulas

Molecular Formula

  • C28-H27-N2-O3-S2.I

Molecular Formula Fragments

  • C28-H27-N2-O3-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H26N2O3S2.HI/c1-4-18(15-25-29(2)28-21-8-6-5-7-19(21)9-12-23(28)34-25)16-26-30(14-13-27(31)32)22-11-10-20(33-3)17-24(22)35-26;/h5-12,15-17H,4,13-14H2,1-3H3;1H

InChIKey

CCNCXJODMKBCDS-UHFFFAOYSA-N

Smiles

s1c([n+](c2c1ccc1ccccc21)C)\C=C(\CC)\C=C1/Sc2c(N1CCC(=O)O)ccc(c2)OC.[IH-]