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

Systemtic Name: 1-methyl-2-[(1E,3Z)-4-methylsulfonyl-2-nitro-buta-1,3-dienyl]benzene Openeye Name: 1-methyl-2-[(1E,3Z)-4-methylsulfonyl-2-nitro-buta-1,3-dienyl]benzene CAS Name: 1-methyl-2-[(1E,3Z)-4-methylsulfonyl-2-nitrobuta-1,3-dienyl]benzene IUPAC Name: 1-methyl-2-[(1E,3Z)-4-methylsulfonyl-2-nitrobuta-1,3-dienyl]benzene Traditional Name: 1-[(1E,3Z)-4-mesyl-2-nitro-buta-1,3-dienyl]-2-methyl-benzene Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C=CS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-10-5-3-4-6-11(10)9-12(13(14)15)7-8-18(2,16)17/h3-9H,1-2H3/b8-7-,12-9+