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[(E)-2-nitro-3-phenyl-prop-2-enyl] octadecanoate

Systemtic Name:	[(E)-2-nitro-3-phenyl-prop-2-enyl] octadecanoate
Openeye Name:	[(E)-2-nitro-3-phenyl-allyl] octadecanoate
CAS Name:	octadecanoic acid [(E)-2-nitro-3-phenylprop-2-enyl] ester
IUPAC Name:	[(E)-2-nitro-3-phenylprop-2-enyl] octadecanoate
Traditional Name:	stearic acid [(E)-2-nitro-3-phenyl-allyl] ester
Formula:	C₂₇H₄₃NO₄
MolecularWeight:	445.63462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(=CC1=CC=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC/C(=C\C1=CC=CC=C1)/[N+](=O)[O-]

InChI

InChI=1S/C27H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)32-24-26(28(30)31)23-25-20-17-16-18-21-25/h16-18,20-21,23H,2-15,19,22,24H2,1H3/b26-23+

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