2-[4-(5-ethanoylthiophen-2-yl)butan-2-yl]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-[4-(5-ethanoylthiophen-2-yl)butan-2-yl]-4-methyl-benzenesulfonic acid Openeye Name: 2-[3-(5-acetyl-2-thienyl)-1-methyl-propyl]-4-methyl-benzenesulfonic acid CAS Name: 2-[4-(5-acetyl-2-thiophenyl)butan-2-yl]-4-methylbenzenesulfonic acid IUPAC Name: 2-[4-(5-acetylthiophen-2-yl)butan-2-yl]-4-methylbenzenesulfonic acid Traditional Name: 2-[3-(5-acetyl-2-thienyl)-1-methyl-propyl]-4-methyl-besylic acid Formula: C17H20O4S2 MolecularWeight: 352.4683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)CCC2=CC=C(S2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)O)C(C)CCC2=CC=C(S2)C(=O)C

InChI

InChI=1S/C17H20O4S2/c1-11-4-9-17(23(19,20)21)15(10-11)12(2)5-6-14-7-8-16(22-14)13(3)18/h4,7-10,12H,5-6H2,1-3H3,(H,19,20,21)