4-(4-hexadecoxy-3-nitro-phenyl)benzoate

Systemtic Name: 4-(4-hexadecoxy-3-nitro-phenyl)benzoate Openeye Name: 4-(4-hexadecoxy-3-nitro-phenyl)benzoate CAS Name: 4-(4-hexadecoxy-3-nitrophenyl)benzoate IUPAC Name: 4-(4-hexadecoxy-3-nitrophenyl)benzoate Traditional Name: 4-(4-cetyloxy-3-nitro-phenyl)benzoate Formula: C29H40NO5- MolecularWeight: 482.6316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C29H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-35-28-21-20-26(23-27(28)30(33)34)24-16-18-25(19-17-24)29(31)32/h16-21,23H,2-15,22H2,1H3,(H,31,32)/p-1