2-[5-oxidanylidene-2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-yl propane-2-sulfonate

Systemtic Name: 2-[5-oxidanylidene-2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-yl propane-2-sulfonate Openeye Name: [1-methyl-1-[5-oxo-2-[(3-phenoxyphenyl)methoxy]tetrahydrofuran-3-yl]ethyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: 2-[5-oxo-2-[(3-phenoxyphenyl)methoxy]oxolan-3-yl]propan-2-yl propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [1-[5-keto-2-(3-phenoxybenzyl)oxy-tetrahydrofuran-3-yl]-1-methyl-ethyl] ester Formula: C23H28O7S MolecularWeight: 448.52922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)OC(C)(C)C1CC(=O)OC1OCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)OC(C)(C)C1CC(=O)OC1OCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H28O7S/c1-16(2)31(25,26)30-23(3,4)20-14-21(24)29-22(20)27-15-17-9-8-12-19(13-17)28-18-10-6-5-7-11-18/h5-13,16,20,22H,14-15H2,1-4H3