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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCC1=C(OC=C1)C(=O)O

Isomeric SMILES

CC(C)CCCOCC1=C(OC=C1)C(=O)O

InChI

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