(4-cyclohexylcarbonyloxy-3-nitro-phenyl)methanesulfinic acid

Systemtic Name: (4-cyclohexylcarbonyloxy-3-nitro-phenyl)methanesulfinic acid Openeye Name: [4-(cyclohexanecarbonyloxy)-3-nitro-phenyl]methanesulfinic acid CAS Name: [4-[cyclohexyl(oxo)methoxy]-3-nitrophenyl]methanesulfinic acid IUPAC Name: [4-(cyclohexanecarbonyloxy)-3-nitrophenyl]methanesulfinic acid Traditional Name: [4-(cyclohexanecarbonyloxy)-3-nitro-phenyl]methanesulfinic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=C(C=C(C=C2)CS(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=C(C=C(C=C2)CS(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6S/c16-14(11-4-2-1-3-5-11)21-13-7-6-10(9-22(19)20)8-12(13)15(17)18/h6-8,11H,1-5,9H2,(H,19,20)