3-methyl-1-(4-phenylsulfanyloxan-4-yl)butane-1,3-diol

Systemtic Name: 3-methyl-1-(4-phenylsulfanyloxan-4-yl)butane-1,3-diol Openeye Name: 3-methyl-1-(4-phenylsulfanyltetrahydropyran-4-yl)butane-1,3-diol CAS Name: 3-methyl-1-[4-(phenylthio)-4-oxanyl]butane-1,3-diol IUPAC Name: 3-methyl-1-(4-phenylsulfanyloxan-4-yl)butane-1,3-diol Traditional Name: 3-methyl-1-[4-(phenylthio)tetrahydropyran-4-yl]butane-1,3-diol Formula: C16H24O3S MolecularWeight: 296.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C1(CCOCC1)SC2=CC=CC=C2)O)O

Isomeric SMILES

CC(C)(CC(C1(CCOCC1)SC2=CC=CC=C2)O)O

InChI

InChI=1S/C16H24O3S/c1-15(2,18)12-14(17)16(8-10-19-11-9-16)20-13-6-4-3-5-7-13/h3-7,14,17-18H,8-12H2,1-2H3