[(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,5-dimethyl-1,2-oxazole-4-sulfonate

Systemtic Name: [(1S)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Openeye Name: [(1S)-1,7-dimethyl-3-oxo-indan-4-yl] 3,5-dimethylisoxazole-4-sulfonate CAS Name: 3,5-dimethyl-4-isoxazolesulfonic acid [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1S)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3,5-dimethyl-1,2-oxazole-4-sulfonate Traditional Name: 3,5-dimethylisoxazole-4-sulfonic acid [(1S)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(ON=C3C)C

Isomeric SMILES

C[C@H]1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C16H17NO5S/c1-8-5-6-13(15-12(18)7-9(2)14(8)15)22-23(19,20)16-10(3)17-21-11(16)4/h5-6,9H,7H2,1-4H3/t9-/m0/s1