dimethyl 2-nitro-5-octadecylsulfonyl-benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 2-nitro-5-octadecylsulfonyl-benzene-1,3-dicarboxylate Openeye Name: dimethyl 2-nitro-5-octadecylsulfonyl-benzene-1,3-dicarboxylate CAS Name: 2-nitro-5-octadecylsulfonylbenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-nitro-5-octadecylsulfonylbenzene-1,3-dicarboxylate Traditional Name: 2-nitro-5-stearylsulfonyl-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H45NO8S MolecularWeight: 555.7238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45NO8S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38(34,35)23-21-24(27(30)36-2)26(29(32)33)25(22-23)28(31)37-3/h21-22H,4-20H2,1-3H3