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Substance Name: 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
RN: 7691-71-6
InChIKey: BCISOBKQMRFGRW-UHFFFAOYSA-N

Molecular Formula

  • C25-H28-N2-O3-S3

Molecular Weight

  • 500.705
 
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Names and Synonyms

Synonym

  • EINECS 231-702-7

Systematic Name

  • 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 7691-71-6

System Generated Number

  • 0007691716

Structure Descriptors

InChI

1S/C25H28N2O3S3/c1-5-26-20-9-6-7-10-22(20)31-24(26)13-17(2)14-25-27(11-8-12-33(28,29)30)21-15-18(3)19(4)16-23(21)32-25/h6-7,9-10,13-16H,5,8,11-12H2,1-4H3

InChIKey

BCISOBKQMRFGRW-UHFFFAOYSA-N

Smiles

C1(\N(c2ccccc2S1)CC)=C\C(=C\c1[n+](c2cc(C)c(cc2s1)C)CCCS(=O)([O-])=O)C