[4-(2,4-dinitrophenyl)sulfanylcyclooctyl] ethanoate

Systemtic Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] ethanoate Openeye Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] acetate CAS Name: acetic acid [4-[(2,4-dinitrophenyl)thio]cyclooctyl] ester IUPAC Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] acetate Traditional Name: acetic acid [4-[(2,4-dinitrophenyl)thio]cyclooctyl] ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1CCCCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O6S/c1-11(19)24-13-4-2-3-5-14(8-7-13)25-16-9-6-12(17(20)21)10-15(16)18(22)23/h6,9-10,13-14H,2-5,7-8H2,1H3