1-bromanyl-2-(2,4-dinitrophenyl)sulfanyl-cyclooctane

Systemtic Name: 1-bromanyl-2-(2,4-dinitrophenyl)sulfanyl-cyclooctane Openeye Name: 1-bromo-2-(2,4-dinitrophenyl)sulfanyl-cyclooctane CAS Name: 1-bromo-2-[(2,4-dinitrophenyl)thio]cyclooctane IUPAC Name: 1-bromo-2-(2,4-dinitrophenyl)sulfanylcyclooctane Traditional Name: 1-bromo-2-[(2,4-dinitrophenyl)thio]cyclooctane Formula: C14H17BrN2O4S MolecularWeight: 389.26478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(C(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1CCCC(C(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C14H17BrN2O4S/c15-11-5-3-1-2-4-6-13(11)22-14-8-7-10(16(18)19)9-12(14)17(20)21/h7-9,11,13H,1-6H2