1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene

Systemtic Name: 1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene Openeye Name: 1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene CAS Name: 1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonylbenzene IUPAC Name: 1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonylbenzene Traditional Name: 1-methyl-4-[(E)-3-nitropent-3-enyl]sulfonyl-benzene Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4S/c1-3-11(13(14)15)8-9-18(16,17)12-6-4-10(2)5-7-12/h3-7H,8-9H2,1-2H3/b11-3+