2-ethylhexanoate; 1-methylpyrrole-2,5-dione

Systemtic Name: 2-ethylhexanoate; 1-methylpyrrole-2,5-dione Openeye Name: 2-ethylhexanoate; 1-methylpyrrole-2,5-dione CAS Name: 2-ethylhexanoate; 1-methylpyrrole-2,5-dione IUPAC Name: 2-ethylhexanoate; 1-methylpyrrole-2,5-dione Traditional Name: 2-ethylhexanoate; 1-methyl-3-pyrroline-2,5-quinone Formula: C13H20NO4- MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].CN1C(=O)C=CC1=O

Isomeric SMILES

CCCCC(CC)C(=O)[O-].CN1C(=O)C=CC1=O

InChI

InChI=1S/C8H16O2.C5H5NO2/c1-3-5-6-7(4-2)8(9)10;1-6-4(7)2-3-5(6)8/h7H,3-6H2,1-2H3,(H,9,10);2-3H,1H3/p-1