3-(5-{(Z)-[2,4-Dioxo-3-(2-Propyn-1-Yl)-1,3-Thiazolidin-5-Ylidene]Methyl}-2-Furyl)Benzoic Acid

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Properties Simple | Detailed

Formula C18H11NO5S
IUPAC Name 3-[5-[(z)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid
Molecular Mass 353.349 g·mol−1
Heat of Formation -298.2 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 388.15 Å 3
Surface Area 350.66 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[5-[(z)-(2,4-diketo-3-propargyl-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid
  • 3-[5-[(z)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
  • 3-[5-[(z)-(2,4-dioxo-3-prop-2-ynyl-5-thiazolidinylidene)methyl]-2-furyl]benzoic acid
  • 3-[5-[(z)-(2,4-dioxo-3-prop-2-ynyl-thiazolidin-5-ylidene)methyl]-2-furyl]benzoic acid
  • benzoic acid, 3-[5-[(z)-[2,4-dioxo-3-(2-propynyl)-5-thiazolidinylidene]methyl]-2-furanyl]-
  • nb-216
InChIKey UIHIWXBPQAISNF-GDNBJRDFSA-N
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