3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxy]-3-oxidanylidene-propanoate; butane

Systemtic Name: 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyloxy]-3-oxidanylidene-propanoate; butane Openeye Name: butane; 3-[2-(1,3-dioxoisoindolin-2-yl)acetyl]oxy-3-oxo-propanoate CAS Name: butane; 3-[2-(1,3-dioxo-2-isoindolyl)-1-oxoethoxy]-3-oxopropanoate IUPAC Name: butane; 3-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxy-3-oxopropanoate Traditional Name: 3-keto-3-(2-phthalimidoacetyl)oxy-propionate; n-butane Formula: C17H18NO7- MolecularWeight: 348.32732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OC(=O)CC(=O)[O-]

Isomeric SMILES

CCCC.C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)OC(=O)CC(=O)[O-]

InChI

InChI=1S/C13H9NO7.C4H10/c15-9(16)5-10(17)21-11(18)6-14-12(19)7-3-1-2-4-8(7)13(14)20;1-3-4-2/h1-4H,5-6H2,(H,15,16);3-4H2,1-2H3/p-1