cyclohexyl 2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: cyclohexyl 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid cyclohexyl ester Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6S/c17-14(22-11-4-2-1-3-5-11)9-23-13-7-6-10(15(18)19)8-12(13)16(20)21/h6-8,11H,1-5,9H2