bis(2-cyclohexylethyl) 2-nitro-4-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(2-cyclohexylethyl) 2-nitro-4-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-cyclohexylethyl) 2-nitro-4-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 2-nitro-4-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-cyclohexylethyl) ester IUPAC Name: bis(2-cyclohexylethyl) 2-nitro-4-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 2-nitro-4-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-cyclohexylethyl) ester Formula: C24H33NO9S MolecularWeight: 511.58512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=C(C(=C(C=C2)SOOO)C(=O)OCCC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=C(C(=C(C=C2)SOOO)C(=O)OCCC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H33NO9S/c26-23(31-15-13-17-7-3-1-4-8-17)19-11-12-20(35-34-33-30)21(22(19)25(28)29)24(27)32-16-14-18-9-5-2-6-10-18/h11-12,17-18,30H,1-10,13-16H2