bis[1-(2-nitrophenyl)sulfanylpropan-2-yl] benzene-1,4-dicarboxylate

Systemtic Name: bis[1-(2-nitrophenyl)sulfanylpropan-2-yl] benzene-1,4-dicarboxylate Openeye Name: bis[1-methyl-2-(2-nitrophenyl)sulfanyl-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[1-[(2-nitrophenyl)thio]propan-2-yl] ester IUPAC Name: bis[1-(2-nitrophenyl)sulfanylpropan-2-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[1-methyl-2-[(2-nitrophenyl)thio]ethyl] ester Formula: C26H24N2O8S2 MolecularWeight: 556.60736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)OC(C)CSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(CSC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)C(=O)OC(C)CSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O8S2/c1-17(15-37-23-9-5-3-7-21(23)27(31)32)35-25(29)19-11-13-20(14-12-19)26(30)36-18(2)16-38-24-10-6-4-8-22(24)28(33)34/h3-14,17-18H,15-16H2,1-2H3