methyl 4-dodecylsulfonyl-3-nitro-benzoate

Systemtic Name: methyl 4-dodecylsulfonyl-3-nitro-benzoate Openeye Name: methyl 4-dodecylsulfonyl-3-nitro-benzoate CAS Name: 4-dodecylsulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-dodecylsulfonyl-3-nitrobenzoate Traditional Name: 4-laurylsulfonyl-3-nitro-benzoic acid methyl ester Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H31NO6S/c1-3-4-5-6-7-8-9-10-11-12-15-28(25,26)19-14-13-17(20(22)27-2)16-18(19)21(23)24/h13-14,16H,3-12,15H2,1-2H3