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

Systemtic Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] methanoate Openeye Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] formate CAS Name: formic acid [4-[(2,4-dinitrophenyl)thio]cyclooctyl] ester IUPAC Name: [4-(2,4-dinitrophenyl)sulfanylcyclooctyl] formate Traditional Name: formic acid [4-[(2,4-dinitrophenyl)thio]cyclooctyl] ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CCC(C1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CCC(C1)OC=O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6S/c18-10-23-12-3-1-2-4-13(7-6-12)24-15-8-5-11(16(19)20)9-14(15)17(21)22/h5,8-10,12-13H,1-4,6-7H2