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Substance Name: Benzoxazolium, 2-(2-((5,6-dimethoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-phenyl-3-(3-sulfobutyl)-, hydroxide, inner salt
RN: 125301-98-6
InChIKey: CDJJIWYPBWRXPA-UHFFFAOYSA-N

Molecular Formula

  • C34-H38-N2-O9-S3

Molecular Weight

  • 714.8772
 
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Names and Synonyms

  • Benzoxazolium, 2-(2-((5,6-dimethoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-phenyl-3-(3-sulfobutyl)-, hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 125301-98-6

System Generated Number

  • 0125301986

Structure Descriptors

InChI

1S/C34H38N2O9S3/c1-5-24(19-34-36(15-9-17-47(37,38)39)28-21-30(43-3)31(44-4)22-32(28)46-34)18-33-35(16-14-23(2)48(40,41)42)27-20-26(12-13-29(27)45-33)25-10-7-6-8-11-25/h6-8,10-13,18-23H,5,9,14-17H2,1-4H3,(H-,37,38,39,40,41,42)

InChIKey

CDJJIWYPBWRXPA-UHFFFAOYSA-N

Smiles

[n+]1(c(oc2c1cc(cc2)c1ccccc1)/C=C(\C=c1\n(c2c(s1)cc(c(c2)OC)OC)CCCS(=O)(=O)O)CC)CCC(S(=O)(=O)[O-])C