[3-(heptanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl heptanoate

Systemtic Name: [3-(heptanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl heptanoate Openeye Name: [3-(heptanoyloxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl heptanoate CAS Name: heptanoic acid [1-oxido-4-oxo-3-(1-oxoheptoxymethyl)-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [3-(heptanoyloxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl heptanoate Traditional Name: enanthic acid [3-(enanthyloxymethyl)-4-keto-1-oxido-quinoxalin-4-ium-2-yl]methyl ester Formula: C24H34N2O6 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])COC(=O)CCCCCC

Isomeric SMILES

CCCCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])COC(=O)CCCCCC

InChI

InChI=1S/C24H34N2O6/c1-3-5-7-9-15-23(27)31-17-21-22(18-32-24(28)16-10-8-6-4-2)26(30)20-14-12-11-13-19(20)25(21)29/h11-14H,3-10,15-18H2,1-2H3