(4-nitrophenyl) 30-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytriacontanoate

Systemtic Name: (4-nitrophenyl) 30-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytriacontanoate Openeye Name: (4-nitrophenyl) 30-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytriacontanoate CAS Name: 30-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]triacontanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 30-[(9Z,12Z)-octadeca-9,12-dienoyl]oxytriacontanoate Traditional Name: 30-[(9Z,12Z)-octadeca-9,12-dienoyl]oxymelissic acid (4-nitrophenyl) ester Formula: C54H93NO6 MolecularWeight: 852.31932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C54H93NO6/c1-2-3-4-5-6-7-8-9-23-26-29-32-35-38-41-44-53(56)60-50-43-40-37-34-31-28-25-22-20-18-16-14-12-10-11-13-15-17-19-21-24-27-30-33-36-39-42-45-54(57)61-52-48-46-51(47-49-52)55(58)59/h6-7,9,23,46-49H,2-5,8,10-22,24-45,50H2,1H3/b7-6-,23-9-