[3-(nonanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl nonanoate

Systemtic Name: [3-(nonanoyloxymethyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl nonanoate Openeye Name: [3-(nonanoyloxymethyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl nonanoate CAS Name: nonanoic acid [1-oxido-4-oxo-3-(1-oxononoxymethyl)-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [3-(nonanoyloxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl nonanoate Traditional Name: pelargonic acid [4-keto-1-oxido-3-(pelargonyloxymethyl)quinoxalin-4-ium-2-yl]methyl ester Formula: C28H42N2O6 MolecularWeight: 502.64288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])COC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])COC(=O)CCCCCCCC

InChI

InChI=1S/C28H42N2O6/c1-3-5-7-9-11-13-19-27(31)35-21-25-26(22-36-28(32)20-14-12-10-8-6-4-2)30(34)24-18-16-15-17-23(24)29(25)33/h15-18H,3-14,19-22H2,1-2H3