7-methylsulfanyl-5-oxidanyl-1,4,5,6-tetrahydroinden-2-one

Systemtic Name: 7-methylsulfanyl-5-oxidanyl-1,4,5,6-tetrahydroinden-2-one Openeye Name: 5-hydroxy-7-methylsulfanyl-1,4,5,6-tetrahydroinden-2-one CAS Name: 5-hydroxy-7-(methylthio)-1,4,5,6-tetrahydroinden-2-one IUPAC Name: 5-hydroxy-7-methylsulfanyl-1,4,5,6-tetrahydroinden-2-one Traditional Name: 5-hydroxy-7-(methylthio)-1,4,5,6-tetrahydroinden-2-one Formula: C10H12O2S MolecularWeight: 196.26608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2CC(=O)C=C2CC(C1)O

Isomeric SMILES

CSC1=C2CC(=O)C=C2CC(C1)O

InChI

InChI=1S/C10H12O2S/c1-13-10-5-8(12)3-6-2-7(11)4-9(6)10/h2,8,12H,3-5H2,1H3