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Substance Name: Benzothiazolium, 5-methoxy-2-((5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
RN: 63148-97-0
InChIKey: XGDLAZBMOHDWKV-UHFFFAOYSA-N

Molecular Formula

  • C23-H26-N2-O8-S4.C6-H15-N

Molecular Weight

  • 687.92
 
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Names and Synonyms

Synonym

  • EINECS 263-946-5

Systematic Names

  • Benzothiazolium, 5-methoxy-2-((5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzothiazolium, 5-methoxy-2-((5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Hydrogen 5-methoxy-2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 63148-97-0

Other Registry Number

  • 449752-62-9

System Generated Number

  • 0063148970

Molecular Formulas

Molecular Formula

  • C23-H26-N2-O8-S4.C6-H15-N

Molecular Formula Fragments

  • C23-H26-N2-O8-S4
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26N2O8S4.C6H15N/c1-32-16-5-7-20-18(13-16)24(9-3-11-36(26,27)28)22(34-20)15-23-25(10-4-12-37(29,30)31)19-14-17(33-2)6-8-21(19)35-23;1-4-7(5-2)6-3/h5-8,13-15H,3-4,9-12H2,1-2H3,(H-,26,27,28,29,30,31);4-6H2,1-3H3

InChIKey

XGDLAZBMOHDWKV-UHFFFAOYSA-N

Smiles

c12c(S\C(N2CCCS(=O)(=O)O)=C/c2sc3ccc(cc3[n+]2CCCS(=O)(=O)[O-])OC)ccc(OC)c1.CCN(CC)CC