3-(6-methyloctan-4-yl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(6-methyloctan-4-yl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-(3-methyl-1-propyl-pentyl)benzofuran-2-carboxylic acid CAS Name: 3-(6-methyloctan-4-yl)-2-benzofurancarboxylic acid IUPAC Name: 3-(6-methyloctan-4-yl)-1-benzofuran-2-carboxylic acid Traditional Name: 3-(3-methyl-1-propyl-pentyl)coumarilic acid Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)CC)C1=C(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCC(CC(C)CC)C1=C(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C18H24O3/c1-4-8-13(11-12(3)5-2)16-14-9-6-7-10-15(14)21-17(16)18(19)20/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,19,20)