sodium 7-[5-(2H-isoindol-1-yl)-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: sodium 7-[5-(2H-isoindol-1-yl)-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: sodium 3,5-dihydroxy-7-[5-(2H-isoindol-1-yl)-6-isopropyl-2,2-dimethyl-3H-benzofuran-7-yl]heptanoate CAS Name: sodium 3,5-dihydroxy-7-[5-(2H-isoindol-1-yl)-2,2-dimethyl-6-propan-2-yl-3H-benzofuran-7-yl]heptanoate IUPAC Name: sodium 3,5-dihydroxy-7-[5-(2H-isoindol-1-yl)-2,2-dimethyl-6-propan-2-yl-3H-1-benzofuran-7-yl]heptanoate Traditional Name: sodium 3,5-dihydroxy-7-[5-(2H-isoindol-1-yl)-6-isopropyl-2,2-dimethyl-coumaran-7-yl]enanthate Formula: C28H34NNaO5 MolecularWeight: 487.56303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C2=C(CC(O2)(C)C)C=C1C3=C4C=CC=CC4=CN3)CCC(CC(CC(=O)[O-])O)O.[Na+]

Isomeric SMILES

CC(C)C1=C(C2=C(CC(O2)(C)C)C=C1C3=C4C=CC=CC4=CN3)CCC(CC(CC(=O)[O-])O)O.[Na+]

InChI

InChI=1S/C28H35NO5.Na/c1-16(2)25-22(10-9-19(30)12-20(31)13-24(32)33)27-18(14-28(3,4)34-27)11-23(25)26-21-8-6-5-7-17(21)15-29-26;/h5-8,11,15-16,19-20,29-31H,9-10,12-14H2,1-4H3,(H,32,33);/q;+1/p-1