3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylsulfanyl-propanal

Systemtic Name: 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylsulfanyl-propanal Openeye Name: 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylsulfanyl-propanal CAS Name: 3-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylthio)propanal IUPAC Name: 3-(2-methyl-1,3-dioxolan-2-yl)-3-phenylsulfanylpropanal Traditional Name: 3-(2-methyl-1,3-dioxolan-2-yl)-3-(phenylthio)propionaldehyde Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)C(CC=O)SC2=CC=CC=C2

Isomeric SMILES

CC1(OCCO1)C(CC=O)SC2=CC=CC=C2

InChI

InChI=1S/C13H16O3S/c1-13(15-9-10-16-13)12(7-8-14)17-11-5-3-2-4-6-11/h2-6,8,12H,7,9-10H2,1H3