3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(3-methyl-4-propan-2-yl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 3-[(4-isopropyl-3-methyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 3-[(4-isopropyl-3-methyl-phenoxy)methyl]-2-furoic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(OC=C2)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(OC=C2)C(=O)O)C(C)C

InChI

InChI=1S/C16H18O4/c1-10(2)14-5-4-13(8-11(14)3)20-9-12-6-7-19-15(12)16(17)18/h4-8,10H,9H2,1-3H3,(H,17,18)