(1E,3Z)-3-chloranyl-4-ethylsulfanyl-1-nitro-hexa-1,3-diene

Systemtic Name: (1E,3Z)-3-chloranyl-4-ethylsulfanyl-1-nitro-hexa-1,3-diene Openeye Name: (1E,3Z)-3-chloro-4-ethylsulfanyl-1-nitro-hexa-1,3-diene CAS Name: (1E,3Z)-3-chloro-4-(ethylthio)-1-nitrohexa-1,3-diene IUPAC Name: (1E,3Z)-3-chloro-4-ethylsulfanyl-1-nitrohexa-1,3-diene Traditional Name: (1E,3Z)-3-chloro-4-(ethylthio)-1-nitro-hexa-1,3-diene Formula: C8H12ClNO2S MolecularWeight: 221.70438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C=C[N+](=O)[O-])Cl)SCC

Isomeric SMILES

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

InChI

InChI=1S/C8H12ClNO2S/c1-3-8(13-4-2)7(9)5-6-10(11)12/h5-6H,3-4H2,1-2H3/b6-5+,8-7-