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

Systemtic Name: 1-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(1E,3E)-2,3-dimethyl-4-nitrobuta-1,3-dienyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(1E,3E)-2,3-dimethyl-4-nitrobuta-1,3-dienyl]sulfonyl-4-methylbenzene Traditional Name: 1-[(1E,3E)-2,3-dimethyl-4-nitro-buta-1,3-dienyl]sulfonyl-4-methyl-benzene Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C=C(C)C(=C[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C(\C)/C(=C/[N+](=O)[O-])/C

InChI

InChI=1S/C13H15NO4S/c1-10-4-6-13(7-5-10)19(17,18)9-12(3)11(2)8-14(15)16/h4-9H,1-3H3/b11-8+,12-9+