3-[[4-(1-oxidanylbutyl)phenoxy]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[4-(1-oxidanylbutyl)phenoxy]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[4-(1-hydroxybutyl)phenoxy]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[4-(1-hydroxybutyl)phenoxy]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[4-(1-hydroxybutyl)phenoxy]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[4-(1-hydroxybutyl)phenoxy]methyl]-2-thenoic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O4S/c1-2-3-14(17)11-4-6-13(7-5-11)20-10-12-8-9-21-15(12)16(18)19/h4-9,14,17H,2-3,10H2,1H3,(H,18,19)