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

Systemtic Name: 3-[2,2-bis[(2-methylpropan-2-yl)oxycarbonyl]-3H-1-benzofuran-5-yl]prop-2-ynoic acid Openeye Name: 3-[2,2-bis(tert-butoxycarbonyl)-3H-benzofuran-5-yl]prop-2-ynoic acid CAS Name: 3-[2,2-bis[(2-methylpropan-2-yl)oxy-oxomethyl]-3H-benzofuran-5-yl]-2-propynoic acid IUPAC Name: 3-[2,2-bis[(2-methylpropan-2-yl)oxycarbonyl]-3H-1-benzofuran-5-yl]prop-2-ynoic acid Traditional Name: 3-[2,2-bis(tert-butoxycarbonyl)coumaran-5-yl]propiolic acid Formula: C21H24O7 MolecularWeight: 388.41106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CC2=C(O1)C=CC(=C2)C#CC(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1(CC2=C(O1)C=CC(=C2)C#CC(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H24O7/c1-19(2,3)27-17(24)21(18(25)28-20(4,5)6)12-14-11-13(8-10-16(22)23)7-9-15(14)26-21/h7,9,11H,12H2,1-6H3,(H,22,23)