(E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)but-2-en-1-one

Systemtic Name: (E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)but-2-en-1-one Openeye Name: (E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)but-2-en-1-one CAS Name: (E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)-2-buten-1-one IUPAC Name: (E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)but-2-en-1-one Traditional Name: (E)-1-(3-diethoxyphosphoryl-6,7-dihydro-5H-1,4-dithiepin-2-yl)but-2-en-1-one Formula: C13H21O4PS2 MolecularWeight: 336.407201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(SCCCS1)C(=O)C=CC)OCC

Isomeric SMILES

CCOP(=O)(C1=C(SCCCS1)C(=O)/C=C/C)OCC

InChI

InChI=1S/C13H21O4PS2/c1-4-8-11(14)12-13(20-10-7-9-19-12)18(15,16-5-2)17-6-3/h4,8H,5-7,9-10H2,1-3H3/b8-4+