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

Systemtic Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione Openeye Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione CAS Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione IUPAC Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione Traditional Name: 2-(1,3-dithiepan-2-ylidene)-1-(4-methoxyphenyl)butane-1,3-dione Formula: C16H18O3S2 MolecularWeight: 322.44232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O3S2/c1-11(17)14(16-20-9-3-4-10-21-16)15(18)12-5-7-13(19-2)8-6-12/h5-8H,3-4,9-10H2,1-2H3