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Substance Name: Benzothiazolium, 2-((5,5-dimethyl-3-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-2-cyclohexen-1-ylidene)methyl)-3-ethyl-5,6-dimethoxy-, inner salt
RN: 72845-30-8
InChIKey: RAAKOKNSYIYVMK-UHFFFAOYSA-N

Molecular Formula

  • C31-H36-N2-O5-S3

Molecular Weight

  • 612.8324
 
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Names and Synonyms

  • Benzothiazolium, 2-((5,5-dimethyl-3-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-2-cyclohexen-1-ylidene)methyl)-3-ethyl-5,6-dimethoxy-, inner salt

Registry Numbers

CAS Registry Number

  • 72845-30-8

Other Registry Number

  • 126953-68-2

System Generated Number

  • 0072845308

Structure Descriptors

InChI

1S/C31H36N2O5S3/c1-6-32-24-17-25(37-4)26(38-5)18-28(24)40-29(32)15-21-14-22(20-31(2,3)19-21)16-30-33(12-9-13-41(34,35)36)23-10-7-8-11-27(23)39-30/h7-8,10-11,14-18H,6,9,12-13,19-20H2,1-5H3

InChIKey

RAAKOKNSYIYVMK-UHFFFAOYSA-N

Smiles

CC[n+]1c(\C=C/2\CC(C)(C)CC(=C2)\C=C\3/Sc4ccccc4N3CCCS(=O)(=O)[O-])sc5cc(OC)c(OC)cc15