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Substance Name: Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, inner salt
RN: 68239-11-2
InChIKey: LNTHAPOUCNPOLE-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O5-S2

Molecular Weight

  • 383.487
 
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Names and Synonyms

Synonyms

  • EINECS 269-424-3
  • Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, hydroxide, inner salt

Systematic Names

  • 6'-Methyl-7'-(3-sulphonatopropyl)spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium)
  • Spiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazolium), 6'-methyl-7'-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 68239-11-2

System Generated Number

  • 0068239112

Structure Descriptors

InChI

1S/C17H21NO5S2/c1-12-18(8-5-9-25(19,20)21)13-10-14-15(11-16(13)24-12)23-17(22-14)6-3-2-4-7-17/h10-11H,2-9H2,1H3

InChIKey

LNTHAPOUCNPOLE-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2c(sc1C)cc1OC3(Oc1c2)CCCCC3