sodium 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate

Systemtic Name: sodium 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate Openeye Name: sodium 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate CAS Name: sodium 4-[2-cyclohexylethoxy(oxo)methyl]-2,6-dinitrobenzenesulfonate IUPAC Name: sodium 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitrobenzenesulfonate Traditional Name: sodium 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-besylate Formula: C15H17N2NaO9S MolecularWeight: 424.35825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C15H18N2O9S.Na/c18-15(26-7-6-10-4-2-1-3-5-10)11-8-12(16(19)20)14(27(23,24)25)13(9-11)17(21)22;/h8-10H,1-7H2,(H,23,24,25);/q;+1/p-1