dodecanoate; 1-methylpyrrole-2,5-dione

Systemtic Name: dodecanoate; 1-methylpyrrole-2,5-dione Openeye Name: dodecanoate; 1-methylpyrrole-2,5-dione CAS Name: dodecanoate; 1-methylpyrrole-2,5-dione IUPAC Name: dodecanoate; 1-methylpyrrole-2,5-dione Traditional Name: laurate; 1-methyl-3-pyrroline-2,5-quinone Formula: C17H28NO4- MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CN1C(=O)C=CC1=O

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CN1C(=O)C=CC1=O

InChI

InChI=1S/C12H24O2.C5H5NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-6-4(7)2-3-5(6)8/h2-11H2,1H3,(H,13,14);2-3H,1H3/p-1