dimethyl 5-[(4-hexadecoxy-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-hexadecoxy-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-hexadecoxy-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[(4-hexadecoxy-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-hexadecoxy-3-nitrophenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-cetyloxy-3-nitro-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C32H46N2O9S MolecularWeight: 634.78064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C32H46N2O9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-43-30-19-18-28(24-29(30)34(37)38)44(39,40)33-27-22-25(31(35)41-2)21-26(23-27)32(36)42-3/h18-19,21-24,33H,4-17,20H2,1-3H3