1,1-bis(oxidanylidene)-4-(2-phenylethynyl)thian-4-ol

Systemtic Name: 1,1-bis(oxidanylidene)-4-(2-phenylethynyl)thian-4-ol Openeye Name: 1,1-dioxo-4-(2-phenylethynyl)thian-4-ol CAS Name: 1,1-dioxo-4-(2-phenylethynyl)-4-thianol IUPAC Name: 1,1-dioxo-4-(2-phenylethynyl)thian-4-ol Traditional Name: 1,1-diketo-4-(2-phenylethynyl)thian-4-ol Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1(C#CC2=CC=CC=C2)O

Isomeric SMILES

C1CS(=O)(=O)CCC1(C#CC2=CC=CC=C2)O

InChI

InChI=1S/C13H14O3S/c14-13(8-10-17(15,16)11-9-13)7-6-12-4-2-1-3-5-12/h1-5,14H,8-11H2