[(4Z)-4-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] octadecanoate

Systemtic Name: [(4Z)-4-[(5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] octadecanoate Openeye Name: [(4Z)-4-[(2-hydroxy-5-nitro-phenyl)hydrazono]-3-oxo-cyclohexa-1,5-dien-1-yl] octadecanoate CAS Name: octadecanoic acid [(4Z)-4-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [(4Z)-4-[(2-hydroxy-5-nitrophenyl)hydrazinylidene]-3-oxocyclohexa-1,5-dien-1-yl] octadecanoate Traditional Name: stearic acid [(4Z)-4-[(2-hydroxy-5-nitro-phenyl)hydrazono]-3-keto-cyclohexa-1,5-dien-1-yl] ester Formula: C30H43N3O6 MolecularWeight: 541.67892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)C(=NNC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=O)/C(=N\NC2=C(C=CC(=C2)[N+](=O)[O-])O)/C=C1

InChI

InChI=1S/C30H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)39-25-19-20-26(29(35)23-25)31-32-27-22-24(33(37)38)18-21-28(27)34/h18-23,32,34H,2-17H2,1H3/b31-26-