[3-nitro-2-oxidanyl-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] octadecanoate

Systemtic Name: [3-nitro-2-oxidanyl-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]phenyl] octadecanoate Openeye Name: [2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenyl] octadecanoate CAS Name: octadecanoic acid [2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] ester IUPAC Name: [2-hydroxy-3-nitro-5-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] octadecanoate Traditional Name: stearic acid [2-hydroxy-5-[(E)-3-keto-3-phenyl-prop-1-enyl]-3-nitro-phenyl] ester Formula: C33H45NO6 MolecularWeight: 551.7135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C33H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-32(36)40-31-26-27(25-29(33(31)37)34(38)39)23-24-30(35)28-20-17-16-18-21-28/h16-18,20-21,23-26,37H,2-15,19,22H2,1H3/b24-23+