3-(2,3,7-trimethyl-3H-1-benzofuran-2-yl)pentanedioic acid

Systemtic Name: 3-(2,3,7-trimethyl-3H-1-benzofuran-2-yl)pentanedioic acid Openeye Name: 3-(2,3,7-trimethyl-3H-benzofuran-2-yl)pentanedioic acid CAS Name: 3-(2,3,7-trimethyl-3H-benzofuran-2-yl)pentanedioic acid IUPAC Name: 3-(2,3,7-trimethyl-3H-1-benzofuran-2-yl)pentanedioic acid Traditional Name: 3-(2,3,7-trimethylcoumaran-2-yl)glutaric acid Formula: C16H20O5 MolecularWeight: 292.327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C(=CC=C2)C)OC1(C)C(CC(=O)O)CC(=O)O

Isomeric SMILES

CC1C2=C(C(=CC=C2)C)OC1(C)C(CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H20O5/c1-9-5-4-6-12-10(2)16(3,21-15(9)12)11(7-13(17)18)8-14(19)20/h4-6,10-11H,7-8H2,1-3H3,(H,17,18)(H,19,20)