5-(dimethoxymethylsulfanyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(dimethoxymethylsulfanyl)-2-(1-oxidanylbutylidene)cyclohexane-1,3-dione Openeye Name: 5-(dimethoxymethylsulfanyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione CAS Name: 5-(dimethoxymethylthio)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione IUPAC Name: 5-(dimethoxymethylsulfanyl)-2-(1-hydroxybutylidene)cyclohexane-1,3-dione Traditional Name: 5-(dimethoxymethylthio)-2-(1-hydroxybutylidene)cyclohexane-1,3-quinone Formula: C13H20O5S MolecularWeight: 288.3599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)SC(OC)OC)O

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)SC(OC)OC)O

InChI

InChI=1S/C13H20O5S/c1-4-5-9(14)12-10(15)6-8(7-11(12)16)19-13(17-2)18-3/h8,13-14H,4-7H2,1-3H3