bis(2-cyclohexylethyl) 3-nitro-6-(trioxidanylsulfanyl)benzene-1,2-dicarboxylate

Systemtic Name: bis(2-cyclohexylethyl) 3-nitro-6-(trioxidanylsulfanyl)benzene-1,2-dicarboxylate Openeye Name: bis(2-cyclohexylethyl) 3-nitro-6-(trioxidanylsulfanyl)benzene-1,2-dicarboxylate CAS Name: 3-nitro-6-(trioxidanylthio)benzene-1,2-dicarboxylic acid bis(2-cyclohexylethyl) ester IUPAC Name: bis(2-cyclohexylethyl) 3-nitro-6-(trioxidanylsulfanyl)benzene-1,2-dicarboxylate Traditional Name: 3-nitro-6-(trioxidanylthio)benzene-1,2-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=CC(=C2C(=O)OCCC3CCCCC3)SOOO)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=C(C=CC(=C2C(=O)OCCC3CCCCC3)SOOO)[N+](=O)[O-]

InChI

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