3-hexadecoxy-4-nitro-benzoic acid

Systemtic Name: 3-hexadecoxy-4-nitro-benzoic acid Openeye Name: 3-hexadecoxy-4-nitro-benzoic acid CAS Name: 3-hexadecoxy-4-nitrobenzoic acid IUPAC Name: 3-hexadecoxy-4-nitrobenzoic acid Traditional Name: 3-cetyloxy-4-nitro-benzoic acid Formula: C23H37NO5 MolecularWeight: 407.54358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-19-20(23(25)26)16-17-21(22)24(27)28/h16-17,19H,2-15,18H2,1H3,(H,25,26)