4-ethynyl-6-(2-hydroxyethyloxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 4-ethynyl-6-(2-hydroxyethyloxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione Openeye Name: 4-ethynyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanyl-cyclohex-4-ene-1,3-dione CAS Name: 4-ethynyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-dione IUPAC Name: 4-ethynyl-6-(2-hydroxyethoxymethyl)-5-phenylsulfanylcyclohex-4-ene-1,3-dione Traditional Name: 4-ethynyl-6-(2-hydroxyethoxymethyl)-5-(phenylthio)cyclohex-4-ene-1,3-quinone Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

C#CC1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C17H16O4S/c1-2-13-15(19)10-16(20)14(11-21-9-8-18)17(13)22-12-6-4-3-5-7-12/h1,3-7,14,18H,8-11H2