5-(1-methylsulfanylcyclopropyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1-methylsulfanylcyclopropyl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[1-(methylthio)cyclopropyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-(1-methylsulfanylcyclopropyl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-[1-(methylthio)cyclopropyl]cyclohexane-1,3-quinone Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2(CC2)SC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2(CC2)SC)O

InChI

InChI=1S/C13H18O3S/c1-3-9(14)12-10(15)6-8(7-11(12)16)13(17-2)4-5-13/h8,14H,3-7H2,1-2H3