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Substance Name: EINECS 281-451-2
RN: 83949-94-4
InChIKey: DPMURBFLGIFRMB-UHFFFAOYSA-N

Molecular Formula

  • C26-H16-N2-O5-S2.C12-H27-N-O6

Molecular Weight

  • 781.8997
 
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Names and Synonyms

Results Name

  • EINECS 281-451-2

Synonym

  • EINECS 281-451-2

Systematic Name

  • 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)quinolin-6-yl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-(nitrilotris(ethyleneoxy))tris(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 83949-94-4

System Generated Number

  • 0083949944

Molecular Formulas

Molecular Formula

  • C26-H16-N2-O5-S2.C12-H27-N-O6

Molecular Formula Fragments

  • C12-H27-N-O6
  • C26-H16-N2-O5-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C26H16N2O5S2.C12H27NO6/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16/h2-12,21H,1H3,(H,31,32,33);14-16H,1-12H2

InChIKey

DPMURBFLGIFRMB-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1S(=O)(=O)O)sc(n2)c3ccc4c(c3)ccc(n4)C5C(=O)c6ccccc6C5=O.C(COCCO)N(CCOCCO)CCOCCO