2-[4-(4-butan-2-ylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-oxo-2-[4-(4-sec-butylphenyl)sulfonyloxyphenyl]acetic acid CAS Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxyphenyl]-2-oxoacetic acid IUPAC Name: 2-[4-(4-butan-2-ylphenyl)sulfonyloxyphenyl]-2-oxoacetic acid Traditional Name: 2-keto-2-[4-(4-sec-butylphenyl)sulfonyloxyphenyl]acetic acid Formula: C18H18O6S MolecularWeight: 362.39692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=O)C(=O)O

InChI

InChI=1S/C18H18O6S/c1-3-12(2)13-6-10-16(11-7-13)25(22,23)24-15-8-4-14(5-9-15)17(19)18(20)21/h4-12H,3H2,1-2H3,(H,20,21)