2-hexadecyl-4-nitro-3-propan-2-yloxy-benzoic acid

Systemtic Name: 2-hexadecyl-4-nitro-3-propan-2-yloxy-benzoic acid Openeye Name: 2-hexadecyl-3-isopropoxy-4-nitro-benzoic acid CAS Name: 2-hexadecyl-4-nitro-3-propan-2-yloxybenzoic acid IUPAC Name: 2-hexadecyl-4-nitro-3-propan-2-yloxybenzoic acid Traditional Name: 2-cetyl-3-isopropoxy-4-nitro-benzoic acid Formula: C26H43NO5 MolecularWeight: 449.62332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C=CC(=C1OC(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C26H43NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(26(28)29)19-20-24(27(30)31)25(22)32-21(2)3/h19-21H,4-18H2,1-3H3,(H,28,29)