1-chloranyl-4-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-benzene

Systemtic Name: 1-chloranyl-4-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-benzene Openeye Name: 1-chloro-4-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-benzene CAS Name: 1-chloro-4-[(1E,3E)-2,3-dimethyl-4-nitrobuta-1,3-dienyl]sulfonylbenzene IUPAC Name: 1-chloro-4-[(1E,3E)-2,3-dimethyl-4-nitrobuta-1,3-dienyl]sulfonylbenzene Traditional Name: 1-chloro-4-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-benzene Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\[N+](=O)[O-])/C(=C/S(=O)(=O)C1=CC=C(C=C1)Cl)/C

InChI

InChI=1S/C12H12ClNO4S/c1-9(7-14(15)16)10(2)8-19(17,18)12-5-3-11(13)4-6-12/h3-8H,1-2H3/b9-7+,10-8+