2-methyl-5-(3-methylbutoxymethyl)furan-3-carboxylic acid

Systemtic Name: 2-methyl-5-(3-methylbutoxymethyl)furan-3-carboxylic acid Openeye Name: 5-(isopentyloxymethyl)-2-methyl-furan-3-carboxylic acid CAS Name: 2-methyl-5-(3-methylbutoxymethyl)-3-furancarboxylic acid IUPAC Name: 2-methyl-5-(3-methylbutoxymethyl)furan-3-carboxylic acid Traditional Name: 5-(isoamoxymethyl)-2-methyl-3-furoic acid Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COCCC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)COCCC(C)C)C(=O)O

InChI

InChI=1S/C12H18O4/c1-8(2)4-5-15-7-10-6-11(12(13)14)9(3)16-10/h6,8H,4-5,7H2,1-3H3,(H,13,14)