3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-oxidanylidene-1-benzofuran-3-ylidene]-2-oxidanylidene-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-oxidanylidene-1-benzofuran-3-ylidene]-2-oxidanylidene-1-benzofuran-5-yl]propanoic acid Openeye Name: 3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-oxo-benzofuran-3-ylidene]-2-oxo-benzofuran-5-yl]propanoic acid CAS Name: 3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-oxo-3-benzofuranylidene]-2-oxo-5-benzofuranyl]propanoic acid IUPAC Name: 3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-oxo-1-benzofuran-3-ylidene]-2-oxo-1-benzofuran-5-yl]propanoic acid Traditional Name: 3-[(3E)-7-tert-butyl-3-[7-tert-butyl-5-(2-carboxyethyl)-2-keto-coumaran-3-ylidene]-2-keto-coumaran-5-yl]propionic acid Formula: C30H32O8 MolecularWeight: 520.57028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)C(=C3C4=CC(=CC(=C4OC3=O)C(C)(C)C)CCC(=O)O)C(=O)O2

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)CCC(=O)O)/C(=C\3/C4=CC(=CC(=C4OC3=O)C(C)(C)C)CCC(=O)O)/C(=O)O2

InChI

InChI=1S/C30H32O8/c1-29(2,3)19-13-15(7-9-21(31)32)11-17-23(27(35)37-25(17)19)24-18-12-16(8-10-22(33)34)14-20(30(4,5)6)26(18)38-28(24)36/h11-14H,7-10H2,1-6H3,(H,31,32)(H,33,34)/b24-23+