2-(4-methylpentoxymethyl)furan-3-carboxylic acid

Systemtic Name: 2-(4-methylpentoxymethyl)furan-3-carboxylic acid Openeye Name: 2-(isohexyloxymethyl)furan-3-carboxylic acid CAS Name: 2-(4-methylpentoxymethyl)-3-furancarboxylic acid IUPAC Name: 2-(4-methylpentoxymethyl)furan-3-carboxylic acid Traditional Name: 2-(isohexyloxymethyl)-3-furoic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC1=C(C=CO1)C(=O)O

Isomeric SMILES

CC(C)CCCOCC1=C(C=CO1)C(=O)O

InChI

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