2-hexadecylsulfonyl-5-nitro-benzoic acid

Systemtic Name: 2-hexadecylsulfonyl-5-nitro-benzoic acid Openeye Name: 2-hexadecylsulfonyl-5-nitro-benzoic acid CAS Name: 2-hexadecylsulfonyl-5-nitrobenzoic acid IUPAC Name: 2-hexadecylsulfonyl-5-nitrobenzoic acid Traditional Name: 2-cetylsulfonyl-5-nitro-benzoic acid Formula: C23H37NO6S MolecularWeight: 455.60798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H37NO6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-31(29,30)22-17-16-20(24(27)28)19-21(22)23(25)26/h16-17,19H,2-15,18H2,1H3,(H,25,26)