sodium 7-[5-(1,3-dihydroisoindol-2-yl)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: sodium 7-[5-(1,3-dihydroisoindol-2-yl)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: sodium 3,5-dihydroxy-7-(5-isoindolin-2-yl-2,2,4,6-tetramethyl-3H-benzofuran-7-yl)heptanoate CAS Name: sodium 7-[5-(1,3-dihydroisoindol-2-yl)-2,2,4,6-tetramethyl-3H-benzofuran-7-yl]-3,5-dihydroxyheptanoate IUPAC Name: sodium 7-[5-(1,3-dihydroisoindol-2-yl)-2,2,4,6-tetramethyl-3H-1-benzofuran-7-yl]-3,5-dihydroxyheptanoate Traditional Name: sodium 3,5-dihydroxy-7-(5-isoindolin-2-yl-2,2,4,6-tetramethyl-coumaran-7-yl)enanthate Formula: C27H34NNaO5 MolecularWeight: 475.55233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(OC2=C(C(=C1N3CC4=CC=CC=C4C3)C)CCC(CC(CC(=O)[O-])O)O)(C)C.[Na+]

Isomeric SMILES

CC1=C2CC(OC2=C(C(=C1N3CC4=CC=CC=C4C3)C)CCC(CC(CC(=O)[O-])O)O)(C)C.[Na+]

InChI

InChI=1S/C27H35NO5.Na/c1-16-22(10-9-20(29)11-21(30)12-24(31)32)26-23(13-27(3,4)33-26)17(2)25(16)28-14-18-7-5-6-8-19(18)15-28;/h5-8,20-21,29-30H,9-15H2,1-4H3,(H,31,32);/q;+1/p-1