(E)-3-[2,2-bis[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-3H-1-benzofuran-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,2-bis[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-3H-1-benzofuran-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2,2-bis(tert-butoxycarbonyl)-3-hydroxy-3H-benzofuran-5-yl]prop-2-enoic acid CAS Name: (E)-3-[3-hydroxy-2,2-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-3H-benzofuran-5-yl]-2-propenoic acid IUPAC Name: (E)-3-[3-hydroxy-2,2-bis[(2-methylpropan-2-yl)oxycarbonyl]-3H-1-benzofuran-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2,2-bis(tert-butoxycarbonyl)-3-hydroxy-coumaran-5-yl]acrylic acid Formula: C21H26O8 MolecularWeight: 406.42634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(C2=C(O1)C=CC(=C2)C=CC(=O)O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(C2=C(O1)C=CC(=C2)/C=C/C(=O)O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26O8/c1-19(2,3)28-17(25)21(18(26)29-20(4,5)6)16(24)13-11-12(8-10-15(22)23)7-9-14(13)27-21/h7-11,16,24H,1-6H3,(H,22,23)/b10-8+