2,3-bis[1-(2-nitrophenyl)sulfanylpropyl]terephthalate

Systemtic Name: 2,3-bis[1-(2-nitrophenyl)sulfanylpropyl]terephthalate Openeye Name: 2,3-bis[1-(2-nitrophenyl)sulfanylpropyl]terephthalate CAS Name: 2,3-bis[1-[(2-nitrophenyl)thio]propyl]terephthalate IUPAC Name: 2,3-bis[1-(2-nitrophenyl)sulfanylpropyl]terephthalate Traditional Name: 2,3-bis[1-[(2-nitrophenyl)thio]propyl]terephthalate Formula: C26H22N2O8S2-2 MolecularWeight: 554.59148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1C(CC)SC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])C(=O)[O-])SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCC(C1=C(C=CC(=C1C(CC)SC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])C(=O)[O-])SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O8S2/c1-3-19(37-21-11-7-5-9-17(21)27(33)34)23-15(25(29)30)13-14-16(26(31)32)24(23)20(4-2)38-22-12-8-6-10-18(22)28(35)36/h5-14,19-20H,3-4H2,1-2H3,(H,29,30)(H,31,32)/p-2