16-[2-(bromomethyl)-4-nitro-phenyl]hexadecan-2-one

Systemtic Name: 16-[2-(bromomethyl)-4-nitro-phenyl]hexadecan-2-one Openeye Name: 16-[2-(bromomethyl)-4-nitro-phenyl]hexadecan-2-one CAS Name: 16-[2-(bromomethyl)-4-nitrophenyl]-2-hexadecanone IUPAC Name: 16-[2-(bromomethyl)-4-nitrophenyl]hexadecan-2-one Traditional Name: 16-[2-(bromomethyl)-4-nitro-phenyl]hexadecan-2-one Formula: C23H36BrNO3 MolecularWeight: 454.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCCCCCCCCCC1=C(C=C(C=C1)[N+](=O)[O-])CBr

Isomeric SMILES

CC(=O)CCCCCCCCCCCCCCC1=C(C=C(C=C1)[N+](=O)[O-])CBr

InChI

InChI=1S/C23H36BrNO3/c1-20(26)14-12-10-8-6-4-2-3-5-7-9-11-13-15-21-16-17-23(25(27)28)18-22(21)19-24/h16-18H,2-15,19H2,1H3