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Substance Name: N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisglycine S,S-dioxide
RN: 4079-10-1
InChIKey: XLKKIJLSRAOTHH-UHFFFAOYSA-N

Molecular Formula

  • C27-H28-N2-O9-S

Molecular Weight

  • 556.589
 
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Names and Synonyms

Synonym

  • EINECS 223-801-9

Systematic Name

  • N,N'-(3H-2,1-Benzoxathiol-3-ylidenebis((6-hydroxy-5-methylphen-3,1-ylene)methylene))bisglycine S,S-dioxide

Registry Numbers

CAS Registry Number

  • 4079-10-1

System Generated Number

  • 0004079101

Structure Descriptors

InChI

1S/C27H28N2O9S/c1-15-7-17(9-20(25(15)34)28-13-23(30)31)11-27(19-5-3-4-6-22(19)39(36,37)38-27)12-18-8-16(2)26(35)21(10-18)29-14-24(32)33/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33)

InChIKey

XLKKIJLSRAOTHH-UHFFFAOYSA-N

Smiles

C1(Cc2cc(NCC(=O)O)c(O)c(C)c2)(OS(c2c1cccc2)(=O)=O)Cc1cc(NCC(=O)O)c(O)c(C)c1