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Substance Name: 3-Ethyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium
RN: 5529-89-5
InChIKey: AXRIZLCXXQKAOQ-UHFFFAOYSA-N

Molecular Formula

  • C30-H30-N2-O4-S2

Molecular Weight

  • 546.709
 
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Names and Synonyms

Synonym

  • EINECS 226-877-1

Systematic Name

  • 3-Ethyl-2-(2-((3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-5-phenylbenzoxazolium

Registry Numbers

CAS Registry Number

  • 5529-89-5

System Generated Number

  • 0005529895

Structure Descriptors

InChI

1S/C30H30N2O4S2/c1-3-22(20-30-32(17-10-18-38(33,34)35)25-13-8-9-14-28(25)37-30)19-29-31(4-2)26-21-24(15-16-27(26)36-29)23-11-6-5-7-12-23/h5-9,11-16,19-21H,3-4,10,17-18H2,1-2H3

InChIKey

AXRIZLCXXQKAOQ-UHFFFAOYSA-N

Smiles

CC/C(=C/c1[n+](c2cc(ccc2o1)c3ccccc3)CC)/C=C\4/N(c5ccccc5S4)CCCS(=O)(=O)[O-]