2-butyl-2-(4-chloranyl-3-nitro-phenyl)-1,3-dithiane

Systemtic Name: 2-butyl-2-(4-chloranyl-3-nitro-phenyl)-1,3-dithiane Openeye Name: 2-butyl-2-(4-chloro-3-nitro-phenyl)-1,3-dithiane CAS Name: 2-butyl-2-(4-chloro-3-nitrophenyl)-1,3-dithiane IUPAC Name: 2-butyl-2-(4-chloro-3-nitrophenyl)-1,3-dithiane Traditional Name: 2-butyl-2-(4-chloro-3-nitro-phenyl)-1,3-dithiane Formula: C14H18ClNO2S2 MolecularWeight: 331.88122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(SCCCS1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1(SCCCS1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H18ClNO2S2/c1-2-3-7-14(19-8-4-9-20-14)11-5-6-12(15)13(10-11)16(17)18/h5-6,10H,2-4,7-9H2,1H3