3-[[4-(5-oxidanylpentan-2-yl)phenoxy]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(5-oxidanylpentan-2-yl)phenoxy]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[4-(4-hydroxy-1-methyl-butyl)phenoxy]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-(5-hydroxypentan-2-yl)phenoxy]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(5-hydroxypentan-2-yl)phenoxy]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[4-(4-hydroxy-1-methyl-butyl)phenoxy]methyl]-2-thenoic acid Formula: C17H20O4S MolecularWeight: 320.4033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCO)C1=CC=C(C=C1)OCC2=C(SC=C2)C(=O)O

Isomeric SMILES

CC(CCCO)C1=CC=C(C=C1)OCC2=C(SC=C2)C(=O)O

InChI

InChI=1S/C17H20O4S/c1-12(3-2-9-18)13-4-6-15(7-5-13)21-11-14-8-10-22-16(14)17(19)20/h4-8,10,12,18H,2-3,9,11H2,1H3,(H,19,20)