sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate

Systemtic Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methyl-butanoate Openeye Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxo-isoindolin-2-yl]-3-methyl-butanoate CAS Name: sodium 2-[5-[1-adamantyloxy(oxo)methyl]-1,3-dioxo-2-isoindolyl]-3-methylbutanoate IUPAC Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-dioxoisoindol-2-yl]-3-methylbutanoate Traditional Name: sodium 2-[5-(1-adamantyloxycarbonyl)-1,3-diketo-isoindolin-2-yl]-3-methyl-butyrate Formula: C24H26NNaO6 MolecularWeight: 447.45611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC34CC5CC(C3)CC(C5)C4.[Na+]

Isomeric SMILES

CC(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC34CC5CC(C3)CC(C5)C4.[Na+]

InChI

InChI=1S/C24H27NO6.Na/c1-12(2)19(22(28)29)25-20(26)17-4-3-16(8-18(17)21(25)27)23(30)31-24-9-13-5-14(10-24)7-15(6-13)11-24;/h3-4,8,12-15,19H,5-7,9-11H2,1-2H3,(H,28,29);/q;+1/p-1