1-(2-chloranyl-5,5-dimethyl-hex-3-ynyl)sulfanyl-4-nitro-benzene

Systemtic Name: 1-(2-chloranyl-5,5-dimethyl-hex-3-ynyl)sulfanyl-4-nitro-benzene Openeye Name: 1-(2-chloro-5,5-dimethyl-hex-3-ynyl)sulfanyl-4-nitro-benzene CAS Name: 1-[(2-chloro-5,5-dimethylhex-3-ynyl)thio]-4-nitrobenzene IUPAC Name: 1-(2-chloro-5,5-dimethylhex-3-ynyl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(2-chloro-5,5-dimethyl-hex-3-ynyl)thio]-4-nitro-benzene Formula: C14H16ClNO2S MolecularWeight: 297.80034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC(CSC1=CC=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C#CC(CSC1=CC=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H16ClNO2S/c1-14(2,3)9-8-11(15)10-19-13-6-4-12(5-7-13)16(17)18/h4-7,11H,10H2,1-3H3