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Substance Name: 2-(3-(5,6-Dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethyl-5-phenylbenzoxazolium
RN: 50671-46-0
InChIKey: YZUGTCCVECNRBN-UHFFFAOYSA-N

Molecular Formula

  • C31-H31-Cl2-N3-O4-S

Molecular Weight

  • 612.5749
 
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Names and Synonyms

Synonym

  • EINECS 256-706-6

Systematic Name

  • 2-(3-(5,6-Dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene)prop-1-enyl)-3-ethyl-5-phenylbenzoxazolium

Registry Numbers

CAS Registry Number

  • 50671-46-0

System Generated Number

  • 0050671460

Structure Descriptors

InChI

1S/C31H31Cl2N3O4S/c1-3-34-26-20-24(32)25(33)21-27(26)36(17-8-9-18-41(37,38)39)30(34)13-10-14-31-35(4-2)28-19-23(15-16-29(28)40-31)22-11-6-5-7-12-22/h5-7,10-16,19-21H,3-4,8-9,17-18H2,1-2H3

InChIKey

YZUGTCCVECNRBN-UHFFFAOYSA-N

Smiles

CC[n+]1c2cc(ccc2oc1/C=C/C=C/3\N(c4cc(c(cc4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)c5ccccc5