2-[4-(4-butan-2-ylphenyl)sulfonyloxy-3,5-dimethyl-phenyl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxy-3,5-dimethyl-phenyl]-2-oxidanylidene-ethanoate Openeye Name: 2-[3,5-dimethyl-4-(4-sec-butylphenyl)sulfonyloxy-phenyl]-2-oxo-acetate CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxy-3,5-dimethylphenyl]-2-oxoacetate IUPAC Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxy-3,5-dimethylphenyl]-2-oxoacetate Traditional Name: 2-[3,5-dimethyl-4-(4-sec-butylphenyl)sulfonyloxy-phenyl]-2-keto-acetate Formula: C20H21O6S- MolecularWeight: 389.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C(=O)C(=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C(=O)C(=O)[O-])C

InChI

InChI=1S/C20H22O6S/c1-5-12(2)15-6-8-17(9-7-15)27(24,25)26-19-13(3)10-16(11-14(19)4)18(21)20(22)23/h6-12H,5H2,1-4H3,(H,22,23)/p-1