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Substance Name: 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, 1,3-dimethyl ester
RN: 72076-51-8
InChIKey: HNTWSFNGBSQWMC-UHFFFAOYSA-N

Molecular Formula

  • C11-H10-N4-O4-S

Molecular Weight

  • 294.29
 
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Names and Synonyms

Synonyms

  • 1-(3,5-Bis(methoxycarbonyl)phenyl)-5-mercapto-1H-tetrazole
  • Dimethyl 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)isophthalate

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, 1,3-dimethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, dimethyl ester

Registry Numbers

CAS Registry Number

  • 72076-51-8

System Generated Number

  • 0072076518

Structure Descriptors

InChI

1S/C11H10N4O4S/c1-18-9(16)6-3-7(10(17)19-2)5-8(4-6)15-11(20)12-13-14-15/h3-5H,1-2H3,(H,12,14,20)

InChIKey

HNTWSFNGBSQWMC-UHFFFAOYSA-N

Smiles

COC(=O)c1cc(cc(c1)n2c(nnn2)S)C(=O)OC