(1E,3E)-3-chloranyl-5,5-dimethyl-4-methylsulfanyl-1-nitro-hexa-1,3-diene

Systemtic Name: (1E,3E)-3-chloranyl-5,5-dimethyl-4-methylsulfanyl-1-nitro-hexa-1,3-diene Openeye Name: (1E,3E)-3-chloro-5,5-dimethyl-4-methylsulfanyl-1-nitro-hexa-1,3-diene CAS Name: (1E,3E)-3-chloro-5,5-dimethyl-4-(methylthio)-1-nitrohexa-1,3-diene IUPAC Name: (1E,3E)-3-chloro-5,5-dimethyl-4-methylsulfanyl-1-nitrohexa-1,3-diene Traditional Name: (1E,3E)-3-chloro-5,5-dimethyl-4-(methylthio)-1-nitro-hexa-1,3-diene Formula: C9H14ClNO2S MolecularWeight: 235.73096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C=C[N+](=O)[O-])Cl)SC

Isomeric SMILES

CC(C)(C)/C(=C(/C=C/[N+](=O)[O-])\Cl)/SC

InChI

InChI=1S/C9H14ClNO2S/c1-9(2,3)8(14-4)7(10)5-6-11(12)13/h5-6H,1-4H3/b6-5+,8-7+