4-hexadecylsulfonyl-3-nitro-benzoic acid

Systemtic Name: 4-hexadecylsulfonyl-3-nitro-benzoic acid Openeye Name: 4-hexadecylsulfonyl-3-nitro-benzoic acid CAS Name: 4-hexadecylsulfonyl-3-nitrobenzoic acid IUPAC Name: 4-hexadecylsulfonyl-3-nitrobenzoic acid Traditional Name: 4-cetylsulfonyl-3-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)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)[N+](=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(23(25)26)19-21(22)24(27)28/h16-17,19H,2-15,18H2,1H3,(H,25,26)