5-(4-methylpentoxymethyl)furan-2-carboxylic acid

Systemtic Name: 5-(4-methylpentoxymethyl)furan-2-carboxylic acid Openeye Name: 5-(isohexyloxymethyl)furan-2-carboxylic acid CAS Name: 5-(4-methylpentoxymethyl)-2-furancarboxylic acid IUPAC Name: 5-(4-methylpentoxymethyl)furan-2-carboxylic acid Traditional Name: 5-(isohexyloxymethyl)-2-furoic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC1=CC=C(O1)C(=O)O

Isomeric SMILES

CC(C)CCCOCC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C12H18O4/c1-9(2)4-3-7-15-8-10-5-6-11(16-10)12(13)14/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,14)