methyl 5,6-diphenyl-1,4-dithiane-2-carboxylate

Systemtic Name: methyl 5,6-diphenyl-1,4-dithiane-2-carboxylate Openeye Name: methyl 5,6-diphenyl-1,4-dithiane-2-carboxylate CAS Name: 5,6-diphenyl-1,4-dithiane-2-carboxylic acid methyl ester IUPAC Name: methyl 5,6-diphenyl-1,4-dithiane-2-carboxylate Traditional Name: 5,6-diphenyl-1,4-dithiane-2-carboxylic acid methyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSC(C(S1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CSC(C(S1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H18O2S2/c1-20-18(19)15-12-21-16(13-8-4-2-5-9-13)17(22-15)14-10-6-3-7-11-14/h2-11,15-17H,12H2,1H3