[(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] 4-nitrobenzoate

Systemtic Name: [(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] 4-nitrobenzoate Openeye Name: [(2E,6E)-1-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] ester IUPAC Name: [(5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2E,6E)-1-allyl-3,7,11-trimethyl-dodeca-2,6,10-trienyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CC(CC=C)OC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4/c1-6-9-24(30-25(27)22-14-16-23(17-15-22)26(28)29)18-21(5)13-8-12-20(4)11-7-10-19(2)3/h6,10,12,14-18,24H,1,7-9,11,13H2,2-5H3/b20-12+,21-18+