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Substance Name: 2-(2-(2,3-Dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl)-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)-6-methoxy-3-methylbenzothiazolium
RN: 2321-65-5
InChIKey: WVXXUIKUBNLFPA-UHFFFAOYSA-N

Molecular Formula

  • C35-H36-N4-O6-S3

Molecular Weight

  • 704.889
 
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Names and Synonyms

Synonym

  • EINECS 219-032-3

Systematic Name

  • 2-(2-(2,3-Dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl)-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl)-6-methoxy-3-methylbenzothiazolium

Registry Numbers

CAS Registry Number

  • 2321-65-5

System Generated Number

  • 0002321655

Structure Descriptors

InChI

1S/C35H36N4O6S3/c1-23-34(35(40)39(25-11-7-6-8-12-25)38(23)17-9-10-18-48(41,42)43)24(19-32-36(2)28-15-13-26(44-4)21-30(28)46-32)20-33-37(3)29-16-14-27(45-5)22-31(29)47-33/h6-8,11-16,19-22H,9-10,17-18H2,1-5H3

InChIKey

WVXXUIKUBNLFPA-UHFFFAOYSA-N

Smiles

c1(c(n(c2ccccc2)n(c1C)CCCCS(=O)(=O)[O-])=O)C(\C=C1\N(c2ccc(cc2S1)OC)C)=C/c1[n+](c2ccc(cc2s1)OC)C