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Substance Name: 4-Amino-5-(ethylsulphonyl)-o-anisic acid, anhydride with ethyl hydrogen carbonate
RN: 71676-03-4
InChIKey: HVGBQUSFFRUKCG-UHFFFAOYSA-N

Molecular Formula

  • C13-H17-N-O7-S

Molecular Weight

  • 590.624
 
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Names and Synonyms

Synonym

  • EINECS 275-834-3

Systematic Name

  • 4-Amino-5-(ethylsulphonyl)-o-anisic acid, anhydride with ethyl hydrogen carbonate

Registry Numbers

CAS Registry Number

  • 71676-03-4

System Generated Number

  • 0071676034

Structure Descriptors

InChI

1S/C20H24N2O9S2.C3H6O3/c1-5-32(25,26)17-7-11(15(29-3)9-13(17)21)19(23)31-20(24)12-8-18(33(27,28)6-2)14(22)10-16(12)30-4;1-2-6-3(4)5/h7-10H,5-6,21-22H2,1-4H3;2H2,1H3,(H,4,5)

InChIKey

HVGBQUSFFRUKCG-UHFFFAOYSA-N

Smiles

CCOC(=O)O.CCS(=O)(=O)c1cc(c(cc1N)OC)C(=O)OC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC