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Home> Encyclopedia > Hot Product Listed 5   > 5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, 5-methyle...
959583-19-8 structure

5-Thiazoleacetic acid,4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, 5-methylester

Iupac Name:3-[(1,3-dioxoinden-2-ylidene)methylamino]benzoic acid
CAS No.:959583-19-8
Molecular Weight:293.278
Molecular Formula:C42H41N3O18S2 (isomer)
Names and Identifiers
Synonyms

5-Thiazoleaceticacid, 4-(4-chlorophenyl)-2-[[[2-(dimethylamino)phenyl]sulfomethyl]amino]-, a-methyl ester (9CI)

Inchi
InChI=1S/C17H11NO4/c19-15-12-6-1-2-7-13(12)16(20)14(15)9-18-11-5-3-4-10(8-11)17(21)22/h1-9,18H,(H,21,22)
InChkey
VRPYJIICVOYEQG-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=CC(=C3)C(=O)O)C2=O
Properties
Density
1.16
Boiling Point
278.3°Cat760mmHg
Computational chemical data
  • Molecular Weight:293.278g/mol
  • Molecular Formula:C42H41N3O18S2
  • Compound Is Canonicalized:True
  • Exact Mass:293.069
  • Monoisotopic Mass:293.069
  • Complexity:499
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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