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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=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/c1-10-4-3-5-11(8-10)9-12(13(14)15)6-7-18(2,16)17/h3-9H,1-2H3/b7-6-,12-9+