5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(5-isobutyl-2-thienyl)-5-oxo-pentanoic acid CAS Name: 5-[5-(2-methylpropyl)-2-thiophenyl]-5-oxopentanoic acid IUPAC Name: 5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxopentanoic acid Traditional Name: 5-(5-isobutyl-2-thienyl)-5-keto-valeric acid Formula: C13H18O3S MolecularWeight: 254.34522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(S1)C(=O)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(S1)C(=O)CCCC(=O)O

InChI

InChI=1S/C13H18O3S/c1-9(2)8-10-6-7-12(17-10)11(14)4-3-5-13(15)16/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)