2-(1,3-dithiepan-2-ylidene)-1-phenyl-butane-1,3-dione

Systemtic Name: 2-(1,3-dithiepan-2-ylidene)-1-phenyl-butane-1,3-dione Openeye Name: 2-(1,3-dithiepan-2-ylidene)-1-phenyl-butane-1,3-dione CAS Name: 2-(1,3-dithiepan-2-ylidene)-1-phenylbutane-1,3-dione IUPAC Name: 2-(1,3-dithiepan-2-ylidene)-1-phenylbutane-1,3-dione Traditional Name: 2-(1,3-dithiepan-2-ylidene)-1-phenyl-butane-1,3-dione Formula: C15H16O2S2 MolecularWeight: 292.41634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1SCCCCS1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C(=C1SCCCCS1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16O2S2/c1-11(16)13(15-18-9-5-6-10-19-15)14(17)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3