3-(7-tert-butyl-2-oxidanylidene-3-phenyl-3H-1-benzofuran-5-yl)propanoic acid

Systemtic Name: 3-(7-tert-butyl-2-oxidanylidene-3-phenyl-3H-1-benzofuran-5-yl)propanoic acid Openeye Name: 3-(7-tert-butyl-2-oxo-3-phenyl-3H-benzofuran-5-yl)propanoic acid CAS Name: 3-(7-tert-butyl-2-oxo-3-phenyl-3H-benzofuran-5-yl)propanoic acid IUPAC Name: 3-(7-tert-butyl-2-oxo-3-phenyl-3H-1-benzofuran-5-yl)propanoic acid Traditional Name: 3-(7-tert-butyl-2-keto-3-phenyl-coumaran-5-yl)propionic acid Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)C(C(=O)O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)C(C(=O)O2)C3=CC=CC=C3

InChI

InChI=1S/C21H22O4/c1-21(2,3)16-12-13(9-10-17(22)23)11-15-18(20(24)25-19(15)16)14-7-5-4-6-8-14/h4-8,11-12,18H,9-10H2,1-3H3,(H,22,23)