2-[1-(3-methylphenyl)sulfonyl-2-nitro-ethyl]furan

Systemtic Name: 2-[1-(3-methylphenyl)sulfonyl-2-nitro-ethyl]furan Openeye Name: 2-[1-(m-tolylsulfonyl)-2-nitro-ethyl]furan CAS Name: 2-[1-(3-methylphenyl)sulfonyl-2-nitroethyl]furan IUPAC Name: 2-[1-(3-methylphenyl)sulfonyl-2-nitroethyl]furan Traditional Name: 2-[1-(m-tolylsulfonyl)-2-nitro-ethyl]furan Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)C(C[N+](=O)[O-])C2=CC=CO2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)C(C[N+](=O)[O-])C2=CC=CO2

InChI

InChI=1S/C13H13NO5S/c1-10-4-2-5-11(8-10)20(17,18)13(9-14(15)16)12-6-3-7-19-12/h2-8,13H,9H2,1H3