[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] propane-2-sulfonate

Systemtic Name: [(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] propane-2-sulfonate Openeye Name: [(4S,5R)-4-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [(4S,5R)-4-(benzoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] ester Formula: C17H26O6S MolecularWeight: 358.44974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC1COC(OC1COCC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(C)S(=O)(=O)O[C@@H]1COC(O[C@H]1COCC2=CC=CC=C2)(C)C

InChI

InChI=1S/C17H26O6S/c1-13(2)24(18,19)23-16-12-21-17(3,4)22-15(16)11-20-10-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3/t15-,16+/m0/s1