4-hexadecoxy-3-nitro-benzenesulfonic acid

Systemtic Name: 4-hexadecoxy-3-nitro-benzenesulfonic acid Openeye Name: 4-hexadecoxy-3-nitro-benzenesulfonic acid CAS Name: 4-hexadecoxy-3-nitrobenzenesulfonic acid IUPAC Name: 4-hexadecoxy-3-nitrobenzenesulfonic acid Traditional Name: 4-cetyloxy-3-nitro-besylic acid Formula: C22H37NO6S MolecularWeight: 443.59728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(30(26,27)28)19-21(22)23(24)25/h16-17,19H,2-15,18H2,1H3,(H,26,27,28)