2,2,5,9-tetramethyldeca-3,4,8-trienyl 4-nitrobenzoate

Systemtic Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 4-nitrobenzoate Openeye Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2,2,5,9-tetramethyldeca-3,4,8-trienyl ester IUPAC Name: 2,2,5,9-tetramethyldeca-3,4,8-trienyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2,2,5,9-tetramethyldeca-3,4,8-trienyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-16(2)7-6-8-17(3)13-14-21(4,5)15-26-20(23)18-9-11-19(12-10-18)22(24)25/h7,9-12,14H,6,8,15H2,1-5H3