4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium

Systemtic Name: 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-benzenesulfonate; diphenyl(p-tolyl)sulfonium CAS Name: 4-[2-cyclohexylethoxy(oxo)methyl]-2,6-dinitrobenzenesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitrobenzenesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: 4-(2-cyclohexylethoxycarbonyl)-2,6-dinitro-besylate; diphenyl(p-tolyl)sulfonium Formula: C34H34N2O9S2 MolecularWeight: 678.77176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17S.C15H18N2O9S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;18-15(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/h2-15H,1H3;8-10H,1-7H2,(H,23,24,25)/q+1;/p-1