3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-propanoic acid

Systemtic Name: 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-propanoic acid Openeye Name: 3-indan-5-ylsulfanyl-2-methyl-propanoic acid CAS Name: 3-(2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methylpropanoic acid Traditional Name: 3-(indan-5-ylthio)-2-methyl-propionic acid Formula: C13H16O2S MolecularWeight: 236.32994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC2=C(CCC2)C=C1)C(=O)O

Isomeric SMILES

CC(CSC1=CC2=C(CCC2)C=C1)C(=O)O

InChI

InChI=1S/C13H16O2S/c1-9(13(14)15)8-16-12-6-5-10-3-2-4-11(10)7-12/h5-7,9H,2-4,8H2,1H3,(H,14,15)