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

Systemtic Name: (4Z)-4-(1,3-benzodioxol-5-yl)-1,1-bis(methylsulfanyl)-5-oxidanyl-penta-1,4-dien-3-one Openeye Name: (4Z)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one CAS Name: (4Z)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-1,1-bis(methylthio)-3-penta-1,4-dienone IUPAC Name: (4Z)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-1,1-bis(methylsulfanyl)penta-1,4-dien-3-one Traditional Name: (4Z)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-1,1-bis(methylthio)penta-1,4-dien-3-one Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O4S2/c1-19-14(20-2)6-11(16)10(7-15)9-3-4-12-13(5-9)18-8-17-12/h3-7,15H,8H2,1-2H3/b10-7-