phenacyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: phenacyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: phenacyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid phenacyl ester Formula: C19H18O3S2 MolecularWeight: 358.47442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18O3S2/c20-17(14-5-2-1-3-6-14)13-22-18(21)15-7-9-16(10-8-15)19-23-11-4-12-24-19/h1-3,5-10,19H,4,11-13H2