2-(1-oxidanylbutylidene)-5-(thian-3-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(1-oxidanylbutylidene)-5-(thian-3-yl)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxybutylidene)-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione CAS Name: 2-(1-hydroxybutylidene)-5-(3-thianyl)cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxybutylidene)-5-(thian-3-yl)cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxybutylidene)-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-quinone Formula: C15H22O3S MolecularWeight: 282.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)O

InChI

InChI=1S/C15H22O3S/c1-2-4-12(16)15-13(17)7-11(8-14(15)18)10-5-3-6-19-9-10/h10-11,16H,2-9H2,1H3