3,3-dimethyl-5-(3-oxidanyl-1-benzothiophen-2-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-(3-oxidanyl-1-benzothiophen-2-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-hydroxybenzothiophen-2-yl)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(3-hydroxy-1-benzothiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(3-hydroxy-1-benzothiophen-2-yl)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(3-hydroxybenzothiophen-2-yl)-5-keto-3,3-dimethyl-valeric acid Formula: C15H16O4S MolecularWeight: 292.35014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)C1=C(C2=CC=CC=C2S1)O)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)C1=C(C2=CC=CC=C2S1)O)CC(=O)O

InChI

InChI=1S/C15H16O4S/c1-15(2,8-12(17)18)7-10(16)14-13(19)9-5-3-4-6-11(9)20-14/h3-6,19H,7-8H2,1-2H3,(H,17,18)