3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-(4-butoxyphenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid Formula: C21H26O6S MolecularWeight: 406.49254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(C)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26O6S/c1-4-5-14-27-18-8-6-16(7-9-18)15-21(2,20(22)23)28(24,25)19-12-10-17(26-3)11-13-19/h6-13H,4-5,14-15H2,1-3H3,(H,22,23)