(4-heptyl-2-nitro-phenyl) 4-hexoxybenzoate

Systemtic Name: (4-heptyl-2-nitro-phenyl) 4-hexoxybenzoate Openeye Name: (4-heptyl-2-nitro-phenyl) 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid (4-heptyl-2-nitrophenyl) ester IUPAC Name: (4-heptyl-2-nitrophenyl) 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid (4-heptyl-2-nitro-phenyl) ester Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C26H35NO5/c1-3-5-7-9-10-12-21-13-18-25(24(20-21)27(29)30)32-26(28)22-14-16-23(17-15-22)31-19-11-8-6-4-2/h13-18,20H,3-12,19H2,1-2H3