octadecyl 4-methyl-3-nitro-benzoate

Systemtic Name: octadecyl 4-methyl-3-nitro-benzoate Openeye Name: octadecyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid octadecyl ester IUPAC Name: octadecyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid stearyl ester Formula: C26H43NO4 MolecularWeight: 433.62392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-26(28)24-20-19-23(2)25(22-24)27(29)30/h19-20,22H,3-18,21H2,1-2H3