2-(1,3-dithiepan-2-ylidene)-1-(4-methylphenyl)butane-1,3-dione

Systemtic Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methylphenyl)butane-1,3-dione Openeye Name: 2-(1,3-dithiepan-2-ylidene)-1-(p-tolyl)butane-1,3-dione CAS Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methylphenyl)butane-1,3-dione IUPAC Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methylphenyl)butane-1,3-dione Traditional Name: 2-(1,3-dithiepan-2-ylidene)-1-(p-tolyl)butane-1,3-dione Formula: C16H18O2S2 MolecularWeight: 306.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(=C2SCCCCS2)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(=C2SCCCCS2)C(=O)C

InChI

InChI=1S/C16H18O2S2/c1-11-5-7-13(8-6-11)15(18)14(12(2)17)16-19-9-3-4-10-20-16/h5-8H,3-4,9-10H2,1-2H3