(4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one

Systemtic Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one Openeye Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one CAS Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylthio)-3-penta-1,4-dienone IUPAC Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one Traditional Name: (4E)-5-(1,3-benzodioxol-5-yl)-1,1-bis(methylthio)penta-1,4-dien-3-one Formula: C14H14O3S2 MolecularWeight: 294.38916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=CC(=O)C=CC1=CC2=C(C=C1)OCO2)SC

Isomeric SMILES

CSC(=CC(=O)/C=C/C1=CC2=C(C=C1)OCO2)SC

InChI

InChI=1S/C14H14O3S2/c1-18-14(19-2)8-11(15)5-3-10-4-6-12-13(7-10)17-9-16-12/h3-8H,9H2,1-2H3/b5-3+