3-ethanoylsulfanyl-2-(5-oxidanyl-2,3-dihydro-1H-inden-1-yl)propanoic acid

Systemtic Name: 3-ethanoylsulfanyl-2-(5-oxidanyl-2,3-dihydro-1H-inden-1-yl)propanoic acid Openeye Name: 3-acetylsulfanyl-2-(5-hydroxyindan-1-yl)propanoic acid CAS Name: 3-(acetylthio)-2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid IUPAC Name: 3-acetylsulfanyl-2-(5-hydroxy-2,3-dihydro-1H-inden-1-yl)propanoic acid Traditional Name: 3-(acetylthio)-2-(5-hydroxyindan-1-yl)propionic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-8(15)19-7-13(14(17)18)12-4-2-9-6-10(16)3-5-11(9)12/h3,5-6,12-13,16H,2,4,7H2,1H3,(H,17,18)